Atom Biology General Molecule Reaction Tools Trial Virus

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Molecule FYI-1001814
Molecule Summary: ID: FYI-1001814 SMILES: ClC1=CC(NC(=O)C23CC4CC(CC(C4)C 2)C3)=CC(C2CCCC2)=C1ClReceived at FYIcenter.com on: 2022-12-13 2023-01-06, 759🔥, 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, 758🔥, 0💬

Molecule FYI-1000970
Molecule Summary: ID: FYI-1000970 SMILES: O=C1CSC(=S)N1CCN1CCCC1 Received at FYIcenter.com on: 2021-08-20 2021-11-30, 758🔥, 0💬

Molecule FYI-1000270
Molecule Summary: ID: FYI-1000270 SMILES: N[17C@@](F)([18C])C(=[190O])[2 0O]Received at FYIcenter.com on: 2021-02-24 2021-04-15, 758🔥, 0💬

Molecule FYI-1000320
Molecule Summary: ID: FYI-1000320 SMILES: CCOC(C#N)(CO)OC(C)(C)C#N Received at FYIcenter.com on: 2021-04-05 2022-07-26, 756🔥, 0💬

Molecule FYI-1000314
Molecule Summary: ID: FYI-1000314 SMILES: CC[C@H](n1ncc(c1C1CC1)C(=O)Nc1 n[nH]cn1)CReceived at FYIcenter.com on: 2021-04-05 2022-07-26, 755🔥, 0💬

"babel" Command Option Argument Syntax
How to write "babel" command option argument properly? What's the difference between "-isdf" and "-i sdf"? There is no difference between "-isdf" and "-i sdf". Both are valid "babel" option "-i" with an argument of "sdf". If a "babel" command option takes an argument, you can specify the argument in... 2020-12-26, 755🔥, 0💬

Molecule FYI-1002073
Molecule Summary: ID: FYI-1002073 Names: InChIKey: OTMSDBZUPAUEDD-UHFFFAOYSA-N SMILES: CC Received at FYIcenter.com on: 2023-01-25 2023-01-25, 754🔥, 0💬

Molecule FYI-1000973
Molecule Summary: ID: FYI-1000973 SMILES: S=C1S\\C(=C/c2ccc(CC)cc2)C(=O) N1CCN(C)CReceived at FYIcenter.com on: 2021-08-20 2021-12-28, 754🔥, 0💬

Molecule FYI-1001811
Molecule Summary: ID: FYI-1001811 SMILES: CC(C)(C1=CC=CC=C1)C2=CC(=C(C(= C2)N3N=C4C=CC=CC4=N3)O)C(C)(C) C5=CC=CC=C5Received at FYIcenter.com on: 2022-12-13 2023-01-06, 753🔥, 0💬

"obrotamer" - Generate Random Rotational Isomers
What Is "obrotamer" command? How to use it to Generate Random Rotational Isomers for a given molecule? "obrotamer" command is a command line tool provided in the Open Babel package that allows you to Generate Random Rotational Isomers for a given molecule. Here is the user manual of the "obrotamer" ... 2020-10-26, 753🔥, 0💬

"babel -i fs ..." - Fingerprint Index Based Search
How to perform a Fingerprint Index Based Search with the "babel" command? You can perform a Fingerprint Index Based Search with the "babel" command using the "-i fs" option to specify the fingerprint index file as the input. For more information, read the help document on fastsearch index file forma... 2020-08-25, 753🔥, 0💬

Molecule FYI-1000309
Molecule Summary: ID: FYI-1000309 SMILES: C/C=C/C=C/C(=O)NO Received at FYIcenter.com on: 2021-04-05 2022-07-26, 752🔥, 0💬

Molecule FYI-1000214
Molecule Summary: ID: FYI-1000214 SMILES: CCOC(=O)C(C)(C)C=O Received at FYIcenter.com on: 2020-12-23 2021-08-01, 752🔥, 0💬

"babel ... -o svg" - Two "svg" Tag Levels
Why am getting two "svg" tag levels in SVG source code generated by the "babel" command? If you are using Open Babel 2.4.1 or higher, you will notice that there are two "svg" tag levels in SVG source code generated by the "babel" command. The main reason for using two "svg" tag levels for including ... 2020-07-22, 752🔥, 0💬

Molecule FYI-1002768
Molecule Summary: ID: FYI-1002768 Names: InChIKey: CJWXGVNXFJTQFT-UHFFFAOYSA-M SMILES: CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O -]Received at FYIcenter.com on: 2023-04-21 2023-04-26, 751🔥, 0💬

Molecule FYI-1002763
Molecule Summary: ID: FYI-1002763 Names: InChIKey: DIOQZVSQGTUSAI-UHFFFAOYSA-N SMILES: CCCCCCCCCC Received at FYIcenter.com on: 2023-04-21 2023-04-25, 751🔥, 0💬

Molecule FYI-1000974
Molecule Summary: ID: FYI-1000974 SMILES: S=C1S\\C(=C/c2ccc(C)cc2)C(=O)N 1CCN(C)CReceived at FYIcenter.com on: 2021-08-20 2021-12-28, 750🔥, 0💬

Molecule FYI-1000964
Molecule Summary: ID: FYI-1000964 SMILES: O=C1CSC(=S)N1CCCN(C)C Received at FYIcenter.com on: 2021-08-20 2021-11-13, 750🔥, 0💬

What Is PK (Pharmacokinetic)
What Is PK (Pharmacokinetic)? PK (Pharmacokinetics) describes the drug concentration-time courses in body fluids resulting from administration of a certain drug dose. More precisely, PK describes how the body reacts to a drug in terms of ADME (Absorption, Distribution, Metabolism, and Excretion). In... 2021-05-16, 750🔥, 0💬

Stereochemistry with JSME (Molecule Editor in JavaScript)
Can JSME (Molecule Editor in JavaScript) be used to do Stereochemistry? Yes. JSME (Molecule Editor in JavaScript) can be used to stereochemistry. You can create a molecule structure with wedges and hatches provide stereoinformation on bonds. Here is an example with 1 wedge and 1 hatch: Molecule with... 2021-02-06, 746🔥, 0💬

Molecule FYI-1002585
Molecule Summary: ID: FYI-1002585 Names: InChIKey: YTPCRCJHZLRLGU-SFHVURJKSA-N SMILES: O=C3c1ccccc1[C@@H](Nc2cc(Cl)cc (Cl)c2)N3c4cccnc4Received at FYIcenter.com on: 2023-04-10 2023-04-17, 742🔥, 0💬

Molecule FYI-1002226
Molecule Summary: ID: FYI-1002226 Names: InChIKey: RJNJNLPEYZFHEL-HKWRFOASSA-N SMILES: CC5=C(C(N)=O)C(c1ccccc1)=C(C=c 3c(=O)[nH]c4ccc(F)c(c2ccccc2)c 34)C5Received at FYIcenter.com on: 2023-02-05 2023-02-28, 742🔥, 0💬

Molecule FYI-1001829
Molecule Summary: ID: FYI-1001829 SMILES: F/C=C/F Received at FYIcenter.com on: 2022-12-19 2023-01-06, 742🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus