CFam Chemical Families Database
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You are searching for "CFAMM00335101" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00335101
Family CFFBM2527 Renin inhibitor 6-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methylsulfanyl]-4-(3-methoxypropyl)-4a,8a-dihydro-1,4-benzoxazin-3-one family
Superfamily CFSBM1377 Renin and Beta-lactamase Binder Superfamily
Class CFCID200 Class 1550
External ID CHEMBL1276280 External Source CHEMBL
PubChem CID 52941036 Functional Category Bioactive
Molecule Name 6-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methylsulfanyl]-4-(3-methoxypropyl)-4a,8a-dihydro-1,4-benzoxazin-3-one
IUPAC Name 6-[[(2R)-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-oxopiperazin-2-yl]methylsulfanyl]-4-(3-methoxypropyl)-4a,8a-dihydro-1,4-benzoxazin-3-one
Synonyms CHEBI:812245
InChi InChI=1S/C34H43N3O7S/c1-40-16-5-15-36-30-19-29(13-14-32(30)44-23-34(36)39)45-24-27-20-35-21-33(38)37(27)26-9-11-28(12-10-26)43-18-6-17-42-22-25-7-3-4-8-31(25)41-2/h3-4,7-14,19,27,30,32,35H,5-6,15-18,20-24H2,1-2H3/t27-,30?,32?/m1/s1
InChiKey HSJWUUYRCREWLB-BNQSOOPWSA-N
Formula C34H43N3O7S Molecular Weight 637.79
Cross Link CHEMBL1276280
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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