General Information of the Compound
| Compound ID |
CP0121389
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| Compound Name |
5-(1,3-benzothiazol-2-yl)-2-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-1H-pyrimidin-6-one
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| Structure |
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| Formula |
C23H21ClN4O3S
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| Molecular Weight |
468.966
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ncc(-c2nc3ccccc3s2)c(=O)[nH]1
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| InChI |
InChI=1S/C23H21ClN4O3S/c1-2-31-19-12-16(24)14(11-18(19)28-7-9-30-10-8-28)21-25-13-15(22(29)27-21)23-26-17-5-3-4-6-20(17)32-23/h3-6,11-13H,2,7-10H2,1H3,(H,25,27,29)
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| InChIKey |
NVCVBDIRCUPQJE-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