CFam Chemical Families Database
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You are searching for "CFAMM00423859" in compound.

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CFAM Mol ID CFAMM00423859
Family CFFBM13725 Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-2-(butylsulfonylamino)-3-[(3-pyridin-4-yl-3-azaspiro[5.5]undecane-9-carbonyl)amino]propanoic acid family
Superfamily CFSBM6038 Integrin beta-3 and Integrin alpha-IIb Binder Superfamily 14
Class CFCCD314 Class 1127
External ID CHEMBL118644 External Source CHEMBL
PubChem CID 44345728 Functional Category Bioactive
Molecule Name N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-[bis(2-methoxyethyl)amino]-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
IUPAC Name N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-[bis(2-methoxyethyl)amino]-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide
Synonyms CHEBI:296729
InChi InChI=1S/C36H51FN6O5S/c1-47-22-20-42(21-23-48-2)27-32(24-29-6-4-3-5-7-29)40-33-13-17-39-26-35(33)49(45,46)41-34(25-30-8-10-31(38)11-9-30)36(44)43-18-14-28(12-16-37)15-19-43/h3-11,13,17,26,28,32,34,41H,12,14-16,18-25,27,38H2,1-2H3,(H,39,40)/t32-,34-/m0/s1
InChiKey XCPUBZITAKSQCH-TWJUONSBSA-N
Formula C36H51FN6O5S Molecular Weight 698.89
Cross Link CHEMBL118644
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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