CFam Chemical Families Database
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You are searching for "CFAMM00429634" in compound.

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CFAM Mol ID CFAMM00429634
Family CFFBM14670 Delta-type opioid receptor and Mu-type opioid receptor ligand AGN-PC-074E9U family
Superfamily CFSBM4827 Potassium voltage-gated channel subfamily H member 2 and Tankyrase-2 Binder Superfamily
Class CFCID1545 Class 2895
External ID CHEMBL67766 External Source CHEMBL
PubChem CID 44308347 Functional Category Bioactive
Molecule Name [4-[(2S)-3-(tert-butylamino)-2-[[(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoyl]amino]-3-oxopropyl]phenyl] benzoate
IUPAC Name [4-[(2S)-3-(tert-butylamino)-2-[[(2S)-2-[(2-chlorophenyl)methyl-methylamino]-4-methylpentanoyl]amino]-3-oxopropyl]phenyl] benzoate
Synonyms CHEBI:206800
InChi InChI=1S/C34H42ClN3O4/c1-23(2)20-30(38(6)22-26-14-10-11-15-28(26)35)32(40)36-29(31(39)37-34(3,4)5)21-24-16-18-27(19-17-24)42-33(41)25-12-8-7-9-13-25/h7-19,23,29-30H,20-22H2,1-6H3,(H,36,40)(H,37,39)/t29-,30-/m0/s1
InChiKey FHIKEQNYVZSIEI-KYJUHHDHSA-N
Formula C34H42ClN3O4 Molecular Weight 592.17
Cross Link CHEMBL67766
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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