Atom Biology General Molecule Reaction Tools Trial Virus

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Molecule FYI-1000464
Molecule Summary: ID: FYI-1000464 SMILES: Received at FYIcenter.com on: 2021-07-19 2021-08-01, 878🔥, 0💬

Molecule FYI-1003976
Molecule Summary: ID: FYI-1003976 Names: InChIKey: SOBPKJYDSKIMNI-UHFFFAOYSA-N SMILES: O=N(=O)c4ccc(CSc3nnc(c2ccc1ncc cc1c2)o3)cc4Received at FYIcenter.com on: 2023-08-08 2023-09-05, 874🔥, 0💬

"babel ... -o svg -xi" - Show Atom Indices in SVG
How to show atom indices in a molecule SVG picture? I want to see in what order each atom is listed in the SMILES string. The SMILES string list each atom a molecule is a specific sequence. You can use the "-xi" option when generating the SVG file to show the index of each atom corresponding to the ... 2021-02-04, 874🔥, 0💬

Molecule FYI-1000208
Molecule Summary: ID: FYI-1000208 SMILES: Cc3ccc(NC(=O)c2ccc(CN1CCN(C)CC 1)cc2)cc3Nc5nccc(c4cccnc4)n5Received at FYIcenter.com on: 2020-12-22 2021-07-25, 872🔥, 0💬

Molecule FYI-1000194
Molecule Summary: ID: FYI-1000194 SMILES: c3ccc2cc1ccccc1cc2c3 Received at FYIcenter.com on: 2020-12-01 2020-12-26, 870🔥, 0💬

Molecule FYI-1000950
Molecule Summary: ID: FYI-1000950 SMILES: CCCCCc3cc(O)c2C1C=C(C)CCC1C(C) (C)Oc2c3Received at FYIcenter.com on: 2021-07-28 2021-11-01, 869🔥, 1💬

Molecule FYI-1000200
Molecule Summary: ID: FYI-1000200 SMILES: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@ H](N)[C@H](O)C4)c23)c1Received at FYIcenter.com on: 2020-12-07 2021-02-04, 869🔥, 0💬

JSME Molecule Editor at FYIcenter.com
What is JSME Molecule Editor at FYIcenter.com? FYIcenter.com maintains a version of JSME Molecule Editor. You can use it to create a new molecule, or edit an existing molecule. JSME, Molecule Editor in JavaScript is a free molecule editor created by Peter Ertl and Bruno Bienfait. It can be used as a... 2021-08-13, 868🔥, 0💬

Molecule FYI-1000207
Molecule Summary: ID: FYI-1000207 SMILES: [*]C.[*]CC.CCCCCCOC(=O)c1ccccc 1C(=O)OCCCReceived at FYIcenter.com on: 2020-12-12 2021-07-25, 864🔥, 0💬

Molecule FYI-1000234
Molecule Summary: ID: FYI-1000234 SMILES: O=Cc1ccc(cc1)C(=O)OC Received at FYIcenter.com on: 2021-01-25 2021-02-17, 864🔥, 0💬

Molecule FYI-1000330
Molecule Summary: ID: FYI-1000330 SMILES: CCOC(=O)[C@@](C)(c1cc(cc(c1)F) F)NCC=CReceived at FYIcenter.com on: 2021-04-05 2022-07-26, 862🔥, 0💬

Molecule FYI-1000966
Molecule Summary: ID: FYI-1000966 SMILES: O=C1CSC(=S)N1CCCN(CC)CC Received at FYIcenter.com on: 2021-08-20 2021-11-13, 862🔥, 0💬

What Is PK-PD Relation
What Is PK-PD (Pharmacokinetic-Pharmacodynam ic)relation? Since PK is mainly represented as a function of drug concentration over time, and PD is mainly represented as a function of drug efficacy over drug concentration, the PK-PD relation is represented as a function of by drug efficacy over time b... 2021-11-01, 862🔥, 1💬

Reaction FYI-1006692
Reaction Summary: ID: FYI-1006692 Formula: SMILES: Cl.[Na]O>>[Na]Cl.O Received at FYIcenter.com on: 2024-01-11 2024-01-24, 860🔥, 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, 858🔥, 0💬

Open Babel Installation Options on CentOS
What are the options for installing Open Babel on CentOS computers? There are a number of options for installing Open Babel on CentOS computers: 1. Install Open Babel with a newer software package manager like DNF/YUM. This is the easiest option to install Open Babel on CentOS computers, if someone ... 2020-10-20, 857🔥, 0💬

Molecule FYI-1000276
Molecule Summary: ID: FYI-1000276 SMILES: CC[C@H](C)O Received at FYIcenter.com on: 2021-03-02 2021-04-15, 856🔥, 0💬

Molecule FYI-1000972
Molecule Summary: ID: FYI-1000972 SMILES: S=C1S\\C(=C/c2ccccc2)C(=O)N1CC N(C)CReceived at FYIcenter.com on: 2021-08-20 2021-12-28, 853🔥, 0💬

What Is PKNCA R Package
What Is the PKNCA R Package? The PKNCA R Package is designed to perform all Non-Compartmental Analysis (NCA) calculations for Pharmacokinetic (PK) data. The primary and secondary goals of the PKNCA package are to 1) only give correct answers to the specific questions being asked and 2) automate as m... 2021-06-20, 853🔥, 0💬

Stereoinformation Presentation in SDF/Mol File
How Stereoinformation Is Presented in SDF/Mol and SDF/Mol V3000 Files? Ideally stereoinformation should be stored in atom's coordinates, since SDF/Mol files support x, y, and z, 3-dimensional coordinates. However, not all software supports 3-dimensional coordinates. So SDF/Mol file uses 3 types of p... 2021-03-21, 852🔥, 0💬

"obfit" - Superimpose Two Molecules
What Is "obfit" command? How to use it to Superimpose Two Molecules? "obfit" command is a command line tool provided in the Open Babel package that allows you to Superimpose Two Molecules. Here is the user manual of the "obfit" command. NAME obfit -- superimpose two molecules based on a pattern SYNO... 2020-11-11, 850🔥, 0💬

"babel ... -o svg -xS" - Ball/Stick Depiction in SVG
How to generate a ball and stick depiction of a molecule in SVG with the "babel" command? If you want to a ball and stick depiction of a molecule in SVG format, you can use the "-o svg -xS" option with the "babel" command. For example, the following command generate a ball and stick depiction of of ... 2020-07-15, 850🔥, 0💬

Molecule FYI-1000355
Molecule Summary: ID: FYI-1000355 SMILES: CC(=)NC1==CC=C(O)C=C1 Received at FYIcenter.com on: 2021-04-14 2021-05-16, 849🔥, 0💬

Molecule FYI-1005666
Molecule Summary: ID: FYI-1005666 Names: InChIKey: URBKETJPLVPCMB-UHFFFAOYSA-N SMILES: O=Cc5cccc(c3nnc4n(Cc1ccccc1Cl) c(=O)c2ccccc2n34)c5Received at FYIcenter.com on: 2023-11-09 2023-11-23, 848🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus