General Information of the Compound
| Compound ID |
CP0525469
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| Compound Name |
6-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-3-[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C30H33ClN4O5S2
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| Molecular Weight |
629.204
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3ccc(cc3s2)S(=O)(=O)C2CCN(C)CC2)c(=O)[nH]1
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| InChI |
InChI=1S/C30H33ClN4O5S2/c1-3-40-27-18-23(31)22(17-26(27)35-12-14-39-15-13-35)24-7-5-21(29(36)32-24)30-33-25-6-4-20(16-28(25)41-30)42(37,38)19-8-10-34(2)11-9-19/h4-7,16-19H,3,8-15H2,1-2H3,(H,32,36)
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| InChIKey |
ALXTVIRBXMQDGF-UHFFFAOYSA-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: PT01155, Growth hormone secretagogue receptor type 1
Protein ID: PT04871, Hydroxycarboxylic acid receptor 1