CFam Chemical Families Database
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You are searching for "CFAMM00007516" in compound.

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CFAM Mol ID CFAMM00007516
Family CFFAD36 Alpha-1 adrenergic receptor ligand arylethanolamine derivative Labetalol family
Superfamily CFSAD36 Alpha-1 adrenergic receptor ligand arylethanolamine derivative Labetalol Superfamily
Class CFCAD36 Class 36
External ID CHEMBL1773198 External Source CHEMBL
PubChem CID 54583092 Functional Category Bioactive
Molecule Name 2-[3-[(2R)-2-[[(2R)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[3-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propyl]acetamide
IUPAC Name 2-[3-[(2R)-2-[[(2R)-2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[3-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propyl]acetamide
Synonyms CHEBI:1244233
InChi InChI=1S/C43H57N3O5/c1-29(2)46(30(3)4)20-18-39(35-14-7-6-8-15-35)40-23-32(16-17-41(40)49)13-10-19-44-43(51)24-34-12-9-11-33(22-34)21-31(5)45-28-42(50)36-25-37(47)27-38(48)26-36/h6-9,11-12,14-17,22-23,25-27,29-31,39,42,45,47-50H,10,13,18-21,24,28H2,1-5H3,(H,44,51)/t31-,39-,42+/m1/s1
Formula C43H57N3O5 Molecular Weight 695.93
Cross Link CHEMBL1773198

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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