General Information of the Compound
| Compound ID |
CP0416006
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| Compound Name |
4-(2-methylpropoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
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| Structure |
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| Formula |
C26H31N3O2
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| Molecular Weight |
417.553
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| Canonical SMILES |
CC(C)COc1ccc(cc1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1C
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| InChI |
InChI=1S/C26H31N3O2/c1-18(2)17-31-23-9-6-21(7-10-23)26(30)28-24-11-8-22-14-20(15-27-25(22)19(24)3)16-29-12-4-5-13-29/h6-11,14-15,18H,4-5,12-13,16-17H2,1-3H3,(H,28,30)
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| InChIKey |
ZLLKIIUCLYZWHE-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