CFam Chemical Families Database
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You are searching for "CFAMM00212985" in compound.

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CFAM Mol ID CFAMM00212985
Family CFFID530 Vasopressin V1a receptor Ligand Sr 49059 Family
Superfamily CFSID428 Vasopressin V1a receptor Ligand Sr 49059 Superfamily
Class CFCCD326 Class 1139
External ID CHEMBL2311143 External Source CHEMBL
PubChem CID 71717293 Functional Category Bioactive
Molecule Name (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]-3,4-ditritiopyrrolidine-2-carboxamide
IUPAC Name (2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2H-indole-2-carbonyl]-3,4-ditritiopyrrolidine-2-carboxamide
Synonyms [3H]SR-49059
InChi InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1/i5T,8T/t5?,8?,22-,25-,28+
InChiKey CEBYCSRFKCEUSW-SXCWCQLZSA-N
Formula C28H25Cl2N3O7ST2 Molecular Weight 624.49
Cross Link CHEMBL2311143
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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