CFam Chemical Families Database
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You are searching for "CFAMM00339741" in compound.

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CFAM Mol ID CFAMM00339741
Family CFFBM2939 Oxytocin receptor and Vasopressin V2 receptor ligand (2S)-N-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-2-[[2-(1-methylimidazol-4-yl)acetyl]amino]pentanediamide family
Superfamily CFSBM1643 Oxytocin receptor and Vasopressin V1a receptor Binder Superfamily 7
Class CFCBM532 Class 3582
External ID CHEMBL339768 External Source CHEMBL
PubChem CID 9986160 Functional Category Bioactive
Molecule Name 2-[3-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-2,4-dioxoimidazolidin-1-yl]-N-(1H-imidazol-2-yl)acetamide
IUPAC Name 2-[3-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]-2,4-dioxoimidazolidin-1-yl]-N-(1H-imidazol-2-yl)acetamide
Synonyms CHEBI:314328
InChi InChI=1S/C31H40N6O5S/c1-29(2)22-8-10-31(29,20-43(41,42)36-15-11-30(12-16-36)9-7-21-5-3-4-6-23(21)30)24(17-22)37-26(39)19-35(28(37)40)18-25(38)34-27-32-13-14-33-27/h3-6,13-14,22,24H,7-12,15-20H2,1-2H3,(H2,32,33,34,38)/t22-,24+,31-/m1/s1
InChiKey SJADVKJBKUIVDK-VGNCIJBISA-N
Formula C31H40N6O5S Molecular Weight 608.75
Cross Link CHEMBL339768
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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