General Information of the Compound
| Compound ID |
CP0373729
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| Compound Name |
(R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenylcarbamate
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1
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| InChI |
InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1
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| InChIKey |
QRZJOFWXOQQWKV-QFIPXVFZSA-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