CFam Chemical Families Database
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You are searching for "CFAMM00043799" in compound.

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CFAM Mol ID CFAMM00043799
Family CFFAD249 Beta-1 adrenergic receptor Ligand Metoprolol Family
Superfamily CFSAD220 adrenergic receptor ligand Esmolol Metoprolol Superfamily
Class CFCAD149 Class 149
External ID CHEMBL53979 External Source CHEMBL
PubChem CID 5327441 Functional Category Bioactive
Molecule Name AC1NS2D6
IUPAC Name tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-(2-hydroxypropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
Synonyms BMS-186318 analog 13;tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-(2-hydroxypropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C33H51N3O8/c1-22(37)21-42-25-15-13-24(14-16-25)18-27(36-31(41)44-33(5,6)7)29(39)20-34-19-28(38)26(17-23-11-9-8-10-12-23)35-30(40)43-32(2,3)4/h8-16,22,26-29,34,37-39H,17-21H2,1-7H3,(H,35,40)(H,36,41)/t22?,26-,27-,28+,29+/m0/s1
Formula C33H51N3O8 Molecular Weight 617.77
Cross Link CHEMBL53979

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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