CFAM Mol ID	CFAMM00421378
Family	CFFBM13250 C-C chemokine receptor type 1 and Chemokine (C-C motif) receptor 1 ligand [2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone family
Superfamily	CFSBM5998 Cyclin-dependent kinase 1 and Cyclin-dependent kinase 2 Binder Superfamily
Class	CFCAD288 Class 288
External ID	CHEMBL2391806	External Source	CHEMBL
PubChem CID	11764610	Functional Category	Bioactive
Molecule Name	[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
IUPAC Name	[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
Synonyms	SureCN4694891
InChi	InChI=1S/C27H33ClN2O6/c1-34-22-6-9-30(16-22)26(33)23-4-3-20(31)13-25(23)35-17-21(32)15-29-10-7-27(8-11-29)14-18-12-19(28)2-5-24(18)36-27/h2-5,12-13,21-22,31-32H,6-11,14-17H2,1H3/t21-,22-/m0/s1
InChiKey	VVWQJGJQEXWAGD-VXKWHMMOSA-N
Formula	C27H33ClN2O6	Molecular Weight	517.01
Cross Link	CHEMBL2391806
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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