General Information of the Compound
| Compound ID |
CP0459721
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| Compound Name |
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-1-methyl-6-(trifluoromethoxy)quinolin-2(1H)-one
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| Structure |
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| Formula |
C24H24F3N3O4
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| Molecular Weight |
475.467
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| Canonical SMILES |
Cn1c2ccc(OC(F)(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
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| InChI |
InChI=1S/C24H24F3N3O4/c1-29-20-4-3-17(34-24(25,26)27)11-18(20)19(12-23(29)31)28-16-6-8-30(9-7-16)13-15-2-5-21-22(10-15)33-14-32-21/h2-5,10-12,16,28H,6-9,13-14H2,1H3
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| InChIKey |
FQKQTHDSMSDWPI-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: PT00897, Potassium voltage-gated channel subfamily H member 2