CFam Chemical Families Database
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You are searching for "CFAMM00471069" in compound.

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CFAM Mol ID CFAMM00471069
Family CFFBM24689 Signal transducer and activator of transcription 3 inhibitor [4-[(E)-4-[[(2S)-1-[(1R,2S,5S)-2-[[(2R)-5-amino-5-oxopentan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate family
Superfamily CFSBM6718 Signal transducer and activator of transcription 3 Binder Superfamily 2
Class CFCBM2088 Class 5138
External ID CHEMBL583116 External Source CHEMBL
PubChem CID 44474950 Functional Category Bioactive
Molecule Name [4-[(E)-3-[[(2S)-1-[(1R,2S,5S)-2-[[(4R)-1-amino-1-oxooctan-4-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxoprop-1-enyl]phenyl] dihydrogen phosphate
IUPAC Name [4-[(E)-3-[[(2S)-1-[(1R,2S,5S)-2-[[(4R)-1-amino-1-oxooctan-4-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxoprop-1-enyl]phenyl] dihydrogen phosphate
Synonyms CHEBI:672932
InChi InChI=1S/C29H43N4O8P/c1-4-5-6-21(10-13-25(30)34)31-28(36)27-23-16-20(23)17-33(27)29(37)24(15-18(2)3)32-26(35)14-9-19-7-11-22(12-8-19)41-42(38,39)40/h7-9,11-12,14,18,20-21,23-24,27H,4-6,10,13,15-17H2,1-3H3,(H2,30,34)(H,31,36)(H,32,35)(H2,38,39,40)/b14-9+/t20-,21-,23-,24+,27+/m1/s1
InChiKey LWFVNZQBOMZGKL-BRYZBEPTSA-N
Formula C29H43N4O8P Molecular Weight 606.65
Cross Link CHEMBL583116
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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