CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00113688" 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 CFAMM00113688
Family CFFAD940 Prothrombin Inhibitor Ximelegatran Family
Superfamily CFSAD791 Prothrombin Inhibitor Ximelegatran Superfamily
Class CFCAD705 Class 705
External ID DAP001537 External Source TTD
PubChem CID 448042 Functional Category Approved Drug
Molecule Name Ximelegatran
IUPAC Name 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
Synonyms 146986-50-7;Y27632;Y-27632 dihydrochloride;Y 27632;CHEBI:75393;4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide;cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans-;Y27;Y-27632, Y27632;Ximelegatran
InChi InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1
InChiKey IYOZTVGMEWJPKR-VOMCLLRMSA-N
Formula C14H21N3O Molecular Weight 247.34
Cross Link CHEMBL559147 DB08756
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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