CFam Chemical Families Database
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You are searching for "CFAMM00421109" in compound.

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CFAM Mol ID CFAMM00421109
Family CFFBM13219 Renin inhibitor (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-propan-2-yl-N-pyridin-2-ylhexanamide;(E)-but-2-enedioic acid family
Superfamily CFSBM5991 Renin and Coagulation factor X Binder Superfamily
Class CFCBM19 Class 3069
External ID CHEMBL2387548 External Source CHEMBL
PubChem CID 66645387 Functional Category Bioactive
Molecule Name (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-propan-2-yl-N-pyridin-3-ylhexanamide;(E)-but-2-enedioic acid
IUPAC Name (2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-propan-2-yl-N-pyridin-3-ylhexanamide;(E)-but-2-enedioic acid
Synonyms SureCN291148
InChi InChI=1S/C26H36ClN5O3.C4H4O4/c1-17(2)19(25(35)30-18-8-7-11-29-13-18)12-23(33)21(28)14-31-15-24(34)32(16-26(31,3)4)22-10-6-5-9-20(22)27;5-3(6)1-2-4(7)8/h5-11,13,17,19,21,23,33H,12,14-16,28H2,1-4H3,(H,30,35);1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,21-,23-;/m0./s1
InChiKey OTLUFAJWMPLPNQ-KHFCCCFJSA-N
Formula C30H40ClN5O7 Molecular Weight 618.12
Cross Link CHEMBL2387548
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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