CFAM Mol ID	CFAMM00006402
Family	CFFAD23 Sodium-dependent dopamine transporter inhibitor substituted phenethylamine derivative Methylphenidate family
Superfamily	CFSAD23 Sodium-dependent dopamine transporter inhibitor substituted phenethylamine derivative Methylphenidate Superfamily
Class	CFCAD23 Class 23
External ID	CHEMBL1214059	External Source	CHEMBL
PubChem CID	49863748	Functional Category	Bioactive
Molecule Name	methyl (3S,4S)-8-[(E)-4-fluorobut-2-enyl]-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name	methyl (3S,4S)-8-[(E)-4-fluorobut-2-enyl]-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms	CHEBI:785909
InChi	InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1
InChiKey	YANGDSFZAMQEBP-PMWAWBRWSA-N
Formula	C19H23FINO2	Molecular Weight	443.29
Cross Link	CHEMBL1214059
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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