General Information of the Compound
| Compound ID |
CP0469563
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| Compound Name |
1-(2,3-dimethylindazol-5-yl)-4-[[5-(trifluoromethyl)thiophen-2-yl]methoxy]pyridin-2-one
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| Structure |
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| Formula |
C20H16F3N3O2S
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| Molecular Weight |
419.428
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| Canonical SMILES |
Cc1n(C)nc2ccc(cc12)-n1ccc(OCc2ccc(s2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C20H16F3N3O2S/c1-12-16-9-13(3-5-17(16)24-25(12)2)26-8-7-14(10-19(26)27)28-11-15-4-6-18(29-15)20(21,22)23/h3-10H,11H2,1-2H3
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| InChIKey |
XWFNNLQMTXNZJH-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: PT01388, Melanin-concentrating hormone receptor 1
Protein ID: PT01027, Melanin-concentrating hormone receptor 1