General Information of the Compound
| Compound ID |
CP0401611
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| Compound Name |
1-(2-cyclopropyl-3-methylbenzimidazol-5-yl)-4-(thiophen-3-ylmethoxy)pyridin-2-one
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| Structure |
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| Formula |
C21H19N3O2S
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| Molecular Weight |
377.469
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| Canonical SMILES |
Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccsc2)cc1=O)C1CC1
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| InChI |
InChI=1S/C21H19N3O2S/c1-23-19-10-16(4-5-18(19)22-21(23)15-2-3-15)24-8-6-17(11-20(24)25)26-12-14-7-9-27-13-14/h4-11,13,15H,2-3,12H2,1H3
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| InChIKey |
MQQLRZBKRHUHQC-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1