General Information of the Compound
| Compound ID |
CP0515596
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| Compound Name |
4-(cyclopropylmethoxy)-N-[3-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]-8-methylquinolin-7-yl]benzamide
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| Structure |
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| Formula |
C27H33N3O3
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| Molecular Weight |
447.579
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| Canonical SMILES |
CC(NCC(C)(C)O)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
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| InChI |
InChI=1S/C27H33N3O3/c1-17-24(30-26(31)20-7-10-23(11-8-20)33-15-19-5-6-19)12-9-21-13-22(14-28-25(17)21)18(2)29-16-27(3,4)32/h7-14,18-19,29,32H,5-6,15-16H2,1-4H3,(H,30,31)
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| InChIKey |
MRIYVMHCGWNLAX-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