CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00573714" in compound.

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CFAM Mol ID CFAMM00573714
Family CFFNP4482 1-[(E)-3-phenylprop-2-enyl]-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium NP ZINC20111996 Family
Superfamily CFSBM8714 Sodium-dependent serotonin transporter and Sodium-dependent dopamine transporter inhibitor 1-[(E)-3-phenylprop-1-enyl]-1,4-diazepane Superfamily
Class CFCID1228 Class 2578
External ID 53828010 External Source PubChem
PubChem CID 53828010 Functional Category Patent Compound
Molecule Name AGN-PC-09ZBEL
IUPAC Name 2-methyl-3-[2-[(2-methyl-2-sulfanylpropyl)amino]ethylamino]-4-(4-phenylpiperidin-1-yl)butane-2-thiol
Synonyms 2-methyl-3-[2-[(2-methyl-2-sulfanylpropyl)amino]ethylamino]-4-(4-phenylpiperidin-1-yl)butane-2-thiol
InChi InChI=1S/C22H39N3S2/c1-21(2,26)17-23-12-13-24-20(22(3,4)27)16-25-14-10-19(11-15-25)18-8-6-5-7-9-18/h5-9,19-20,23-24,26-27H,10-17H2,1-4H3
Formula C22H39N3S2 Molecular Weight 409.70
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Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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National University of Singapore, Singapore

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