CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00393067" in compound.

Total 1 results found.

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 CFAMM00393067
Family CFFBM9112 Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide family
Superfamily CFSBM784 Beta-secretase 1 and Cathepsin S Binder Superfamily
Class CFCCD484 Class 1297
External ID CHEMBL1915989 External Source CHEMBL
PubChem CID 57396340 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-[(3R)-8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-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-[(3R)-8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl]-4-phenylbutanamide
InChi InChI=1S/C39H48F2N4O5/c1-5-24(2)39(44-25(3)46)16-17-45(38(39)49)34(15-14-26-10-7-6-8-11-26)37(48)43-33(20-27-18-29(40)22-30(41)19-27)36(47)32-21-28-12-9-13-35(50-4)31(28)23-42-32/h6-13,18-19,22,24,32-34,36,42,47H,5,14-17,20-21,23H2,1-4H3,(H,43,48)(H,44,46)/t24?,32-,33+,34+,36-,39+/m1/s1
Formula C39H48F2N4O5 Molecular Weight 690.82
Cross Link CHEMBL1915989

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).

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