General Information of the Compound
| Compound ID |
CP0442411
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| Compound Name |
N-[1-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C27H31F2N3O4
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| Molecular Weight |
499.558
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
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| InChI |
InChI=1S/C27H31F2N3O4/c1-31(2)10-3-13-35-24-7-4-18(14-22(24)29)17-32-11-8-20(9-12-32)30-27(34)26-16-23(33)21-6-5-19(28)15-25(21)36-26/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,30,34)
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| InChIKey |
CNUSBABIJFXEFH-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