General Information of the Compound
| Compound ID |
CP0429887
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2H-1,2,3-triazol-2-yl)benzamide
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| Structure |
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| Formula |
C24H24N6O2
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| Molecular Weight |
428.496
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1
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| InChI |
InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
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| InChIKey |
JANYIILYPVTKHH-QHCPKHFHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor