CFam Chemical Families Database
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You are searching for "CFAMM00405272" in compound.

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CFAM Mol ID CFAMM00405272
Family CFFBM10902 Prothrombin and Tissue-type plasminogen activator inhibitor 2-[[(2R)-1-[(2S)-2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid family
Superfamily CFSBM5309 Prothrombin and Endothelin-1 receptor Binder Superfamily
Class CFCCD64 Class 877
External ID CHEMBL543817 External Source CHEMBL
PubChem CID 45260552 Functional Category Bioactive
Molecule Name 2-[[(2R)-1-[(2S)-2-[(5-carbamimidoyl-1-methylpyrrol-3-yl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid;hydrochloride
IUPAC Name 2-[[(2R)-1-[(2S)-2-[(5-carbamimidoyl-1-methylpyrrol-3-yl)methylcarbamoyl]-2,5-dihydropyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid;hydrochloride
Synonyms
InChi InChI=1S/C23H34N6O4.ClH/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15;/h5,8,11,14-15,17-18,26H,2-4,6-7,9-10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31);1H/t17-,18+;/m1./s1
InChiKey GWLPNUXEEGOECJ-URBRKQAFSA-N
Formula C23H35ClN6O4 Molecular Weight 495.01
Cross Link CHEMBL543817
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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