CFAM Mol ID	CFAMM00393248
Family	CFFBM9142 Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide family
Superfamily	CFSBM4746 Beta-secretase 1 and Muscarinic acetylcholine receptor M3 Binder Superfamily
Class	CFCID94 Class 1444
External ID	CHEMBL1915997	External Source	CHEMBL
PubChem CID	11677867	Functional Category	Bioactive
Molecule Name	(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]propanamide
IUPAC Name	(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]propanamide
Synonyms
InChi	InChI=1S/C27H41F2N3O4/c1-4-6-7-19-8-9-32(27(19)35)17(3)26(34)31-24(13-18-11-20(28)14-21(29)12-18)25(33)23-15-22(16-30-23)36-10-5-2/h11-12,14,17,19,22-25,30,33H,4-10,13,15-16H2,1-3H3,(H,31,34)/t17-,19-,22+,23+,24-,25+/m0/s1
InChiKey	NCNBQNSEYDEPDM-NNMAOJKYSA-N
Formula	C27H41F2N3O4	Molecular Weight	509.63
Cross Link	CHEMBL1915997
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

27398 visits since 2014 .........

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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