General Information of the Compound
| Compound ID |
CP0410727
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| Compound Name |
4-(cyclopropylmethoxy)-N-[3-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-8-methylquinolin-7-yl]benzamide
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CC(N1CC[C@H](O)C1)c1cnc2c(C)c(NC(=O)c3ccc(OCC4CC4)cc3)ccc2c1
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| InChI |
InChI=1S/C27H31N3O3/c1-17-25(29-27(32)20-5-8-24(9-6-20)33-16-19-3-4-19)10-7-21-13-22(14-28-26(17)21)18(2)30-12-11-23(31)15-30/h5-10,13-14,18-19,23,31H,3-4,11-12,15-16H2,1-2H3,(H,29,32)/t18?,23-/m0/s1
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| InChIKey |
JSVWEGWBBVUOER-IMMUGOHXSA-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