CFam Chemical Families Database
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You are searching for "CFAMM00485242" in compound.

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CFAM Mol ID CFAMM00485242
Family CFFBM28257 Bifunctional epoxide hydrolase 2 inhibitor (2S)-3-(3a,7a-dihydro-1H-indol-3-yl)-2-[[(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenylpropanoyl]amino]propanoic acid family
Superfamily CFSBM7439 Substance-P receptor and Bifunctional epoxide hydrolase 2 Binder Superfamily
Class CFCAD260 Class 260
External ID CHEMBL385894 External Source CHEMBL
PubChem CID 44418668 Functional Category Bioactive
Molecule Name (2S)-3-(3a,7a-dihydro-1H-indol-3-yl)-2-[[(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenylpropanoyl]amino]propanoic acid
IUPAC Name (2S)-3-(3a,7a-dihydro-1H-indol-3-yl)-2-[[(2S)-2-[6-(1-adamantylcarbamoylamino)hexanoylamino]-3-phenylpropanoyl]amino]propanoic acid
Synonyms CHEBI:464309
InChi InChI=1S/C37H49N5O5/c43-33(13-5-2-8-14-38-36(47)42-37-20-25-15-26(21-37)17-27(16-25)22-37)40-31(18-24-9-3-1-4-10-24)34(44)41-32(35(45)46)19-28-23-39-30-12-7-6-11-29(28)30/h1,3-4,6-7,9-12,23,25-27,29-32,39H,2,5,8,13-22H2,(H,40,43)(H,41,44)(H,45,46)(H2,38,42,47)/t25?,26?,27?,29?,30?,31-,32-,37?/m0/s1
InChiKey HBCULAIBYOKOKO-CCPWVHGJSA-N
Formula C37H49N5O5 Molecular Weight 643.82
Cross Link CHEMBL385894
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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