CFAM Mol ID	CFAMM00036688
Family	CFFAD206 Beta-2 adrenergic receptor ligand catecholamine Salbutamol Family
Superfamily	CFSAD62 adrenergic receptor ligand catecholamine Superfamily
Class	CFCAD62 Class 62
External ID	CHEMBL219863	External Source	CHEMBL
PubChem CID	44415155	Functional Category	Bioactive
Molecule Name	4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-3-hydroxybutan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)propan-2-yl]amino]-2-(ethylamino)propyl]phenol
IUPAC Name	4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-3-hydroxybutan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)propan-2-yl]amino]-2-(ethylamino)propyl]phenol
Synonyms	CHEBI:456317
InChi	InChI=1S/C51H71N7O3/c1-3-53-45(30-42-19-23-49(60)24-20-42)33-54-47(31-43-21-25-50(61)26-22-43)35-55-46(28-40-15-9-5-10-16-40)34-56-48(29-41-17-11-6-12-18-41)36-58-51(38(2)59)37-57-44(32-52)27-39-13-7-4-8-14-39/h4-26,38,44-48,51,53-61H,3,27-37,52H2,1-2H3/t38-,44+,45+,46+,47+,48+,51+/m1/s1
InChiKey	OUAGGZWGXWAPQG-MMTUMOEFSA-N
Formula	C51H71N7O3	Molecular Weight	830.15
Cross Link	CHEMBL219863
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

48680 visits since 2014 .........

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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