CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00454094" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00454094
Family CFFBM20012 Coagulation factor X inhibitor JTV-803 free base family
Superfamily CFSBM7775 Coagulation factor X Binder Superfamily 12
Class CFCBM379 Class 3429
External ID CHEMBL195428 External Source CHEMBL
PubChem CID 44400527 Functional Category Bioactive
Molecule Name AGN-PC-075V6Y
IUPAC Name 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyrimidin-4-ylpiperidine-4-carboxylic acid;methanesulfonic acid
Synonyms CHEBI:422465;4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyrimidin-4-ylpiperidine-4-carboxylic acid;methanesulfonic acid
InChi InChI=1S/C21H26N6O3.CH4O3S/c22-20(23)27-8-4-15-1-2-17(11-16(15)12-27)30-13-21(19(28)29)5-9-26(10-6-21)18-3-7-24-14-25-18;1-5(2,3)4/h1-3,7,11,14H,4-6,8-10,12-13H2,(H3,22,23)(H,28,29);1H3,(H,2,3,4)
Formula C21H26N6O3.CH4O3S Molecular Weight 506.58
Cross Link CHEMBL195428

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).

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