CFam Chemical Families Database
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You are searching for "CFAMM00039607" in compound.

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CFAM Mol ID CFAMM00039607
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID DNC013174 External Source TTD
PubChem CID 16109444 Functional Category Investigative Drug
Molecule Name d[Cha4,Dab8]VP
IUPAC Name (2S)-N-[(2S)-4-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxobutan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-10-(cyclohexylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Synonyms CHEMBL412742;CHEBI:466875;DNC013174
InChi InChI=1S/C48H67N11O11S2/c49-19-17-32(42(64)52-26-40(51)62)54-47(69)38-12-7-20-59(38)48(70)37-27-72-71-21-18-41(63)53-33(24-30-13-15-31(60)16-14-30)43(65)55-34(22-28-8-3-1-4-9-28)44(66)56-35(23-29-10-5-2-6-11-29)45(67)57-36(25-39(50)61)46(68)58-37/h1,3-4,8-9,13-16,29,32-38,60H,2,5-7,10-12,17-27,49H2,(H2,50,61)(H2,51,62)(H,52,64)(H,53,63)(H,54,69)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
InChiKey DPVYQFBOSXXNLG-CXWHUAPYSA-N
Formula C48H67N11O11S2 Molecular Weight 1038.24
Cross Link CHEMBL412742
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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