General Information of the Compound
| Compound ID |
CP0428927
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| Compound Name |
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-methylthiazol-4-yl)acetamide
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1
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| InChI |
InChI=1S/C21H24N4O2S/c1-15-24-19(14-28-15)11-21(27)25-18-6-4-16(5-7-18)8-10-23-13-20(26)17-3-2-9-22-12-17/h2-7,9,12,14,20,23,26H,8,10-11,13H2,1H3,(H,25,27)/t20-/m0/s1
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| InChIKey |
KYTVXLDJXMOWPN-FQEVSTJZSA-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