CFam Chemical Families Database
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You are searching for "CFAMM00308867" in compound.

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CFAM Mol ID CFAMM00308867
Family CFFBM204 Pol polyprotein and Protease inhibitor 161186-52-3 family
Superfamily CFSBM124 Protease and Pol polyprotein Binder Superfamily
Class CFCCD63 Class 876
External ID CHEMBL433301 External Source CHEMBL
PubChem CID 5327575 Functional Category Bioactive
Molecule Name AC1NS2MO
IUPAC Name tert-butyl N-[(2S,3R,4R)-4-[[4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methylamino]-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-1-phenylpentan-2-yl]carbamate
Synonyms 2-Aminobenzyl-Substituted AHPPA deriv. 23;tert-butyl N-[(2S,3R,4R)-4-[[4-[[3-(1H-benzimidazol-2-yl)propanoylamino]methyl]phenyl]methylamino]-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-1-phenylpentan-2-yl]carbamate
InChi InChI=1S/C43H50N6O6/c1-43(2,3)55-42(54)48-34(23-27-11-5-4-6-12-27)40(52)39(41(53)49-38-31-14-8-7-13-30(31)24-35(38)50)45-26-29-19-17-28(18-20-29)25-44-37(51)22-21-36-46-32-15-9-10-16-33(32)47-36/h4-20,34-35,38-40,45,50,52H,21-26H2,1-3H3,(H,44,51)(H,46,47)(H,48,54)(H,49,53)/t34-,35+,38-,39+,40+/m0/s1
InChiKey CSMHYSGEPNQJPO-KSBVRXGCSA-N
Formula C43H50N6O6 Molecular Weight 746.89
Cross Link CHEMBL433301
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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