CFam Chemical Families Database
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You are searching for "CFAMM00168445" 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 CFAMM00168445
Family CFFCD687 GDC-0349 family
Superfamily CFSCD612 GDC-0349 Superfamily
Class CFCCD433 Class 1246
External ID CHEMBL576505 External Source CHEMBL
PubChem CID 45488077 Functional Category Bioactive
Molecule Name SureCN56201
IUPAC Name 1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
Synonyms AGN-PC-07CRR5;CHEBI:683305;1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
InChi InChI=1S/C31H37N9O2/c1-3-40-30-27(18-32-40)29(39-19-25-12-13-26(20-39)42-25)35-28(36-30)21-4-6-22(7-5-21)33-31(41)34-23-8-10-24(11-9-23)38-16-14-37(2)15-17-38/h4-11,18,25-26H,3,12-17,19-20H2,1-2H3,(H2,33,34,41)
Formula C31H37N9O2 Molecular Weight 567.68
Cross Link CHEMBL576505

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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National University of Singapore, Singapore

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