General Information of the Compound
| Compound ID |
CP0516429
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| Compound Name |
6-(2-chloro-4-ethoxy-5-morpholin-4-ylphenyl)-3-[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C25H27ClN4O5S
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| Molecular Weight |
531.034
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)-c1ccc(-c2nc3CCN(Cc3s2)C(=O)CO)c(=O)[nH]1
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| InChI |
InChI=1S/C25H27ClN4O5S/c1-2-35-21-12-17(26)16(11-20(21)29-7-9-34-10-8-29)18-4-3-15(24(33)27-18)25-28-19-5-6-30(23(32)14-31)13-22(19)36-25/h3-4,11-12,31H,2,5-10,13-14H2,1H3,(H,27,33)
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| InChIKey |
LZRSMQARMRZWHQ-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