CFam Chemical Families Database
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You are searching for "CFAMM00393245" 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 CFAMM00393245
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 CHEMBL1915991 External Source CHEMBL
PubChem CID 57396341 Functional Category Bioactive
Molecule Name (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
IUPAC Name (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
Synonyms
InChi InChI=1S/C36H50F2N4O5/c1-5-16-47-29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30-,31+,32+,33-,36+/m1/s1
InChiKey NIJRXGKMRCWJPW-FFFUPCJUSA-N
Formula C36H50F2N4O5 Molecular Weight 656.80
Cross Link CHEMBL1915991
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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National University of Singapore, Singapore


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