CFam Chemical Families Database
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You are searching for "CFAMM00346032" in compound.

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CFAM Mol ID CFAMM00346032
Family CFFBM3381 Presenilin-1 and Presenilin-2 inhibitor (2S)-N-[(3S)-5-(1,3-benzodioxol-5-yl)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-methylpropanamide family
Superfamily CFSBM200 Presenilin-2 and Presenilin-1 Binder Superfamily
Class CFCBM76 Class 3126
External ID CHEMBL335994 External Source CHEMBL
PubChem CID 44354363 Functional Category Bioactive
Molecule Name methyl 2-[(3S)-5-(1,3-benzodioxol-5-yl)-3-[[(2S)-3-(3,4-difluorophenyl)-2-methylpropanoyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
IUPAC Name methyl 2-[(3S)-5-(1,3-benzodioxol-5-yl)-3-[[(2S)-3-(3,4-difluorophenyl)-2-methylpropanoyl]amino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Synonyms CHEBI:319788
InChi InChI=1S/C29H25F2N3O6/c1-16(11-17-7-9-20(30)21(31)12-17)28(36)33-27-29(37)34(14-25(35)38-2)22-6-4-3-5-19(22)26(32-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,33,36)/t16-,27+/m0/s1
InChiKey DJNHHASAPQZIRO-RKOGDMNLSA-N
Formula C29H25F2N3O6 Molecular Weight 549.52
Cross Link CHEMBL335994
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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