General Information of the Compound
| Compound ID |
CP0535732
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| Compound Name |
1-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-4-[[5-(trifluoromethyl)thiophen-3-yl]methoxy]pyridin-2-one
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| Structure |
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| Formula |
C22H18F3N3O2S
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| Molecular Weight |
445.466
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| Canonical SMILES |
Cn1c(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
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| InChI |
InChI=1S/C22H18F3N3O2S/c1-27-18-9-15(4-5-17(18)26-21(27)14-2-3-14)28-7-6-16(10-20(28)29)30-11-13-8-19(31-12-13)22(23,24)25/h4-10,12,14H,2-3,11H2,1H3
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| InChIKey |
FXCYREGHIBLSLY-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