General Information of the Compound
| Compound ID |
CP0428924
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-oxoquinazolin-1(2H)-yl)acetamide
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cn2c3ccccc3cnc2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C25H25N5O3/c31-23(20-5-3-12-26-14-20)16-27-13-11-18-7-9-21(10-8-18)29-24(32)17-30-22-6-2-1-4-19(22)15-28-25(30)33/h1-10,12,14-15,23,27,31H,11,13,16-17H2,(H,29,32)/t23-/m0/s1
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| InChIKey |
QAWPVELWSOHFHL-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