CFam Chemical Families Database
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You are searching for "CFAMM00411793" in compound.

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CFAM Mol ID CFAMM00411793
Family CFFBM11780 Beta-secretase 1 inhibitor 3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-pyridin-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile family
Superfamily CFSBM4867 Beta-secretase 1 and Neuropeptides B/W receptor type 1 Binder Superfamily
Class CFCBM234 Class 3284
External ID CHEMBL2178716 External Source CHEMBL
PubChem CID 71457202 Functional Category Bioactive
Molecule Name 3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-[6-(trifluoromethyl)pyridin-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
IUPAC Name 3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-[6-(trifluoromethyl)pyridin-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
InChi InChI=1S/C24H19F3N6OS/c1-32-21(34)17-11-33(20-7-3-6-18(30-20)24(25,26)27)13-23(17,31-22(32)29)19-9-16(12-35-19)15-5-2-4-14(8-15)10-28/h2-9,12,17H,11,13H2,1H3,(H2,29,31)/t17-,23-/m0/s1
Formula C24H19F3N6OS Molecular Weight 496.51
Cross Link CHEMBL2178716

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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