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Molecule FYI-1002072
Molecule Summary: ID: FYI-1002072 Names: InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N SMILES: Nc1cc[nH]c(=O)n1 Received at FYIcenter.com on: 2023-01-25
2023-01-25, 225👍, 0💬

Molecule FYI-1002074
Molecule Summary: ID: FYI-1002074 Names: InChIKey: BPXRCZAENSPPPK-OWOJBTEDSA-N SMILES: F/C=C/[F+]F Received at FYIcenter.com on: 2023-01-25
2023-01-25, 224👍, 0💬

Molecule FYI-1002066
Molecule Summary: ID: FYI-1002066 Names: InChIKey: QXAXLSMKNHJDNM-UHFFFAOYSA-N SMILES: CN(C)/C(N)=N/CCCC(NC(=O)OCC3c1 ccccc1c2ccccc23)C(=O)OReceived at FYIcenter.com on: 2023-01-24
2023-01-25, 220👍, 0💬

Molecule FYI-1002068
Molecule Summary: ID: FYI-1002068 Names: InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N SMILES: C1CCCCC1 Received at FYIcenter.com on: 2023-01-25
2023-01-25, 219👍, 0💬

Molecule FYI-1002075
Molecule Summary: ID: FYI-1002075 Names: InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N SMILES: O=c2c(O)c(c1ccc(O)c(O)c1)oc3cc (O)cc(O)c23Received at FYIcenter.com on: 2023-01-25
2023-01-25, 210👍, 0💬

biotech.FYIcenter.com Links
Tools: Convert SMILES Search by Name Search by InChIKey SDF Viewer Molecule Editor Collections: 3Dmol.js FAQ Atoms and Elements COVID-19 FAQ JSME Tutorials Molecule FAQ Open Babel Tutorials PyMol Tutorials SDF/Mol File FAQ Interview Questions Tools and Resources Glossary of Terminologies Other Infor...
2023-01-25, 2463👍, 0💬

$3Dmol Namespace and Static Methods
What is the GLViewer Class? $3Dmol is the top namespace of the $3Dmol.js library. It contains a sub-namespace, several classes and some static methods as listed below. Sub-namespaces : $3Dmol.GLDraw - Lower level utilities for creating WebGL shape geometries Classes : $3Dmol.GLModel - A group of rel...
2023-01-24, 161👍, 0💬

$3Dmol.download('pdb:...', ...) - Download PDB Protein
How to download PDB Protein Data with the $3Dmol.download() method? The syntax to download PDB Protein Data with the $3Dmol.download() method is shown below: $3Dmol.download("pdb:{PDB_ID}" ,viewer, options, callback) -&gt; {$3Dmol.GLModel} viewer - The $3Dmol.GLViewer instance where the download...
2023-01-24, 159👍, 0💬

openbabel.cheminfo.org/v1/convert - Web API
How to make a HTTP request to the Open Babel Web API at openbabel.cheminfo.org/v1/conv ert?You can call the Open Babel Web API at https://openbabel.cheminfo.org /v1/convertwith a HTTP POST request as shown below. 1. Use "curl" command to call the Web API to generate a 3D SDF file from a given SMILES...
2023-01-24, 163👍, 0💬

Open Babel Web Interface at cheminfo.org
Is there any Web interface available for Open Babel? I want to try it before installing it on my local computer. You can try Open Babel on the Web interface provided by cheminfo.org. 1. Go to http://www.cheminfo.org/Chemis try/Cheminformatics/FormatConv erter/index.html. You see the Web interface tha...
2023-01-24, 159👍, 0💬

"-o svg -xd -d" Bug in Open Babel 3.1.1
Why "obabel ... -o svg -xd -d" is not able to remove hydrogens? It seems to be code bug in the "obabel" command in Open Babel 3.1.1 release. In Open Babel 3.1.1 release, options -xd and -d are not respected together for SVG output in the "obabel -i sdf -o svg -xC -xt -xP400 -xd -d" command. For exam...
2023-01-24, 152👍, 0💬

"DNF/YUM install" - Open Babel Binary Packages
How to install Open Babel binary packages with DNF/YUM commands on CentOS systems? If you are running CentOS 8, you can follow this tutorial to install Open Babel binary packages: 1. Install "openbabel" package: fyicenter$ sudo sdf install openbabel Installed: openbabel-3.1.1-14.el8.x86_64 openbabel...
2023-01-24, 148👍, 0💬

Molecule Systematic Names and Common Names
What are Molecule Systematic Names and Common Names? Molecule Systematic Names are derived with a nomenclature system for simple organic molecules. Some rules used by the nomenclature system for binary (two-element) molecules are: The more electropositive atom is written first and the more electrone...
2023-01-24, 244👍, 0💬

Brand Names vs. Generic Names for Drugs
What are the differences between brand names and generic names for molecules developed as medical drugs? The Brand Names of a drug is given by the company who developed the drug. The brand name is a trademark of the owner company. The Generic Names of a drug is assigned, in the United States, by the...
2023-01-24, 171👍, 0💬

Molecule FYI-1002057
Molecule Summary: ID: FYI-1002057 Names: InChIKey: CQERVFFAOOUFEQ-UHFFFAOYSA-O SMILES: O=C(c1cncc(Br)c1)N3CCC([NH+]2C CCC2)CC3Received at FYIcenter.com on: 2023-01-24
2023-01-24, 262👍, 0💬

Molecule FYI-1002056
Molecule Summary: ID: FYI-1002056 Names: LIPITOR; InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O) [O-])O)O)C2=CC=C(C=C2)F)C3=CC= CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C 1=C(C(=C(N1CCC(CC(CC(=O)[O-])O )O)C2=CC=C(C=C2)F)C3=CC=CC=C3) C(=O)NC4=CC=CC=C4.[Ca+2]Received at FYIcenter.com on:...
2023-01-24, 236👍, 0💬

Molecule FYI-1002055
Molecule Summary: ID: FYI-1002055 Names: InChIKey: ATCCWKYKHCKDGT-UHFFFAOYSA-N SMILES: O=C3CN=C(c1ccccc1)c2cc(Br)ccc2 N3Received at FYIcenter.com on: 2023-01-24
2023-01-24, 265👍, 0💬

Molecule FYI-1002051
Molecule Summary: ID: FYI-1002051 Names: InChIKey: GACQNUHFDBEIQH-HNNXBMFYSA-N SMILES: Cc5ccc(c2ccc1ncc4c(c1n2)n(C3CC N(C(=O)[C@H](C)O)CC3)c(=O)n4C) cn5Received at FYIcenter.com on: 2023-01-24
2023-01-24, 236👍, 0💬

Molecule FYI-1002053
Molecule Summary: ID: FYI-1002053 Names: InChIKey: RNJVAUBBYGWVBF-UHFFFAOYSA-N SMILES: C=CC(=O)OC(C)COCC(C)OC(=O)C=C Received at FYIcenter.com on: 2023-01-24
2023-01-24, 234👍, 0💬

Molecule FYI-1002054
Molecule Summary: ID: FYI-1002054 Names: InChIKey: GBQVZNKFIVRWDH-WDEREUQCSA-N SMILES: CN(C)C[C@@H]1C[C@H](C(C)(C)C)C CC1=OReceived at FYIcenter.com on: 2023-01-24
2023-01-24, 233👍, 0💬

Molecule FYI-1002052
Molecule Summary: ID: FYI-1002052 Names: InChIKey: PMATZTZNYRCHOR-IMVLJIQESA-N SMILES: C/C=C/CC(C)C(O)C1C(=O)NC(CC)C( =O)N(C)CC(=O)N(C)C(CC(C)C)C(=O )NC(C(C)C)C(=O)N(C)C(CC(C)C)C( =O)NC(C)C(=O)NC(C)C(=O)N(C)C(C C(C)C)C(=O)N(C)C(CC(C)C)C(=O)N (C)C(C(C)C)C(=O)N1CReceived at FYIcenter.com on: 2023-01-24
2023-01-24, 214👍, 0💬

Molecule FYI-1002047
Molecule Summary: ID: FYI-1002047 Names: ACETOSALIC ACID; BAYER; ASPIRIN; InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N SMILES: CC(=O)OC1=CC=CC=C1C(=O)O Received at FYIcenter.com on: 2023-01-24
2023-01-24, 282👍, 0💬

Molecule FYI-1002049
Molecule Summary: ID: FYI-1002049 Names: InChIKey: HEFNNWSXXWATRW-SNVBAGLBSA-N SMILES: CC(C)Cc1ccc([C@@H](C)C(=O)O)cc 1Received at FYIcenter.com on: 2023-01-24
2023-01-24, 279👍, 0💬

Molecule FYI-1002050
Molecule Summary: ID: FYI-1002050 Names: MOTRIN; ADVIL; IBUPROFEN; InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O Received at FYIcenter.com on: 2023-01-24
2023-01-24, 274👍, 0💬

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