CFam Chemical Families Database
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You are searching for "CFAMM00303986" 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 CFAMM00303986
Family CFFID4194 Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 311440 Family
Superfamily CFSAD675 Serum albumin Inhibitor Gadobenate Dimeglumine Superfamily
Class CFCAD610 Class 610
External ID CHEMBL574924 External Source CHEMBL
PubChem CID 45481899 Functional Category Bioactive
Molecule Name benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
IUPAC Name benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
Synonyms CHEBI:669305
InChi InChI=1S/C32H52N6O9/c1-20(2)14-23(16-39)34-29(43)25(15-21(3)4)36-28(42)24(12-8-9-13-33)35-30(44)26(17-40)37-31(45)27(18-41)38-32(46)47-19-22-10-6-5-7-11-22/h5-7,10-11,16,20-21,23-27,40-41H,8-9,12-15,17-19,33H2,1-4H3,(H,34,43)(H,35,44)(H,36,42)(H,37,45)(H,38,46)/t23-,24-,25-,26-,27-/m0/s1
InChiKey QIGWUJODMNFCOG-IRGGMKSGSA-N
Formula C32H52N6O9 Molecular Weight 664.79
Cross Link CHEMBL574924
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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