CFAM Mol ID	CFAMM00036762
Family	CFFAD206 Beta-2 adrenergic receptor ligand catecholamine Salbutamol Family
Superfamily	CFSAD62 adrenergic receptor ligand catecholamine Superfamily
Class	CFCAD62 Class 62
External ID	CHEMBL267717	External Source	CHEMBL
PubChem CID	44415118	Functional Category	Bioactive
Molecule Name	4-[(2S)-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxypropan-2-yl]amino]-3-hydroxybutan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)propan-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-hydroxypropan-2-yl]amino]-3-hydroxybutan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)propan-2-yl]amino]-3-(4-hydroxyphenyl)propan-2-yl]amino]-2-(ethylamino)propyl]phenol
Synonyms	CHEBI:456218
InChi	InChI=1S/C45H67N7O5/c1-3-47-37(22-34-9-15-42(55)16-10-34)26-48-38(23-35-11-17-43(56)18-12-35)27-49-39(24-36-13-19-44(57)20-14-36)28-50-40(21-33-7-5-4-6-8-33)29-52-45(32(2)54)30-51-41(25-46)31-53/h4-20,32,37-41,45,47-57H,3,21-31,46H2,1-2H3/t32-,37+,38+,39+,40+,41+,45+/m1/s1
InChiKey	JMKRSEHGRYIREO-JQJPHSKJSA-N
Formula	C45H67N7O5	Molecular Weight	786.06
Cross Link	CHEMBL267717
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

48692 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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