General Information of the Compound
| Compound ID |
CP0417912
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2,5-dimethylbenzamide
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
Cc1ccc(C)c(c1)C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C24H27N3O2/c1-17-5-6-18(2)22(14-17)24(29)27-21-9-7-19(8-10-21)11-13-26-16-23(28)20-4-3-12-25-15-20/h3-10,12,14-15,23,26,28H,11,13,16H2,1-2H3,(H,27,29)/t23-/m0/s1
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| InChIKey |
STJHLKDYKRBSBU-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