CFam Chemical Families Database
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You are searching for "CFAMM00328884" in compound.

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CFAM Mol ID CFAMM00328884
Family CFFBM1925 Prothrombin and Cationic trypsin inhibitor tert-butyl N-[(2R)-1-[(2S)-2-[(6-aminopyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3,3-diphenylpropan-2-yl]carbamate family
Superfamily CFSBM690 Renin and Prothrombin Binder Superfamily
Class CFCAD639 Class 639
External ID CHEMBL123142 External Source CHEMBL
PubChem CID 11801417 Functional Category Bioactive
Molecule Name tert-butyl N-[(2R)-1-[(2S)-2-[(6-amino-2,4-dimethylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2R)-1-[(2S)-2-[(6-amino-2,4-dimethylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate
Synonyms CHEBI:302102
InChi InChI=1S/C33H53N5O4/c1-21-19-27(34)36-22(2)25(21)20-35-30(39)26-17-12-18-38(26)31(40)29(37-32(41)42-33(3,4)5)28(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h19,23-24,26,28-29H,6-18,20H2,1-5H3,(H2,34,36)(H,35,39)(H,37,41)/t26-,29+/m0/s1
InChiKey CVJJKAXDDGZLEP-LITSAYRRSA-N
Formula C33H53N5O4 Molecular Weight 583.81
Cross Link CHEMBL123142
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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