General Information of the Compound
| Compound ID |
CP0373744
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| Compound Name |
(R)-2-(benzo[d]thiazol-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)benzamide
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| Structure |
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| Formula |
C29H26N4O2S
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| Molecular Weight |
494.62
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1)c1cccnc1
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| InChI |
InChI=1S/C29H26N4O2S/c34-26(21-6-5-16-30-18-21)19-31-17-15-20-11-13-22(14-12-20)32-28(35)23-7-1-2-8-24(23)29-33-25-9-3-4-10-27(25)36-29/h1-14,16,18,26,31,34H,15,17,19H2,(H,32,35)/t26-/m0/s1
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| InChIKey |
KYJMGBRNBMEYEY-SANMLTNESA-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