General Information of the Compound
| Compound ID |
CP0137373
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| Compound Name |
2-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-5-[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C29H32ClN5O5S2
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| Molecular Weight |
630.192
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ncc(-c2nc3ccc(cc3s2)S(=O)(=O)C2CCN(C)CC2)c(=O)[nH]1
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| InChI |
InChI=1S/C29H32ClN5O5S2/c1-3-40-25-16-22(30)20(15-24(25)35-10-12-39-13-11-35)27-31-17-21(28(36)33-27)29-32-23-5-4-19(14-26(23)41-29)42(37,38)18-6-8-34(2)9-7-18/h4-5,14-18H,3,6-13H2,1-2H3,(H,31,33,36)
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| InChIKey |
KGZNYDFUINOSHN-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