CFAM Mol ID	CFAMM00376645
Family	CFFBM7035 RAC-alpha serine/threonine-protein kinase inhibitor 2-[(3,4-difluorophenyl)methyl]-1-[4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one family
Superfamily	CFSBM4004 Mitogen-activated protein kinase 9 and Mitogen-activated protein kinase 8 Binder Superfamily
Class	CFCBM1469 Class 4519
External ID	ZINC13569430	External Source	ZINC
PubChem CID	51524205	Functional Category	Natural Product
Molecule Name	2-(4-fluorophenyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-4,4'-piperidine]-1'-ylbutan-2-yl]acetamide
IUPAC Name	2-(4-fluorophenyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-4,4'-piperidine]-1'-ylbutan-2-yl]acetamide
Synonyms
InChi	InChI=1S/C23H30FN5O2S/c1-32-13-7-19(28-20(30)14-16-2-4-17(24)5-3-16)22(31)29-11-8-23(9-12-29)21-18(6-10-27-23)25-15-26-21/h2-5,15,19,27H,6-14H2,1H3,(H,25,26)(H,28,30)/p+1/t19-/m0/s1
InChiKey	KQOFFOBKIXVTCK-IBGZPJMESA-O
Formula	C23H31FN5O2S+	Molecular Weight	460.59
Cross Link
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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