General Information of the Compound
| Compound ID |
CP0425170
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| Compound Name |
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-(difluoromethoxy)-1-methylquinolin-2(1H)-one
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| Structure |
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| Formula |
C24H25F2N3O4
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| Molecular Weight |
457.477
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| Canonical SMILES |
Cn1c2ccc(OC(F)F)cc2c(NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
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| InChI |
InChI=1S/C24H25F2N3O4/c1-28-20-4-3-17(33-24(25)26)11-18(20)19(12-23(28)30)27-16-6-8-29(9-7-16)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-12,16,24,27H,6-9,13-14H2,1H3
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| InChIKey |
LZVOCVBJCLTFOL-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