General Information of the Compound
| Compound ID |
CP0449770
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| Compound Name |
7-fluoro-N-[1-[[3-fluoro-4-[(2E)-2-methoxyiminoethoxy]phenyl]methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C25H25F2N3O5
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| Molecular Weight |
485.487
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| Canonical SMILES |
CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
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| InChI |
InChI=1S/C25H25F2N3O5/c1-33-28-8-11-34-22-5-2-16(12-20(22)27)15-30-9-6-18(7-10-30)29-25(32)24-14-21(31)19-4-3-17(26)13-23(19)35-24/h2-5,8,12-14,18H,6-7,9-11,15H2,1H3,(H,29,32)/b28-8+
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| InChIKey |
FQWJOAGZEYMASE-YLKCYHHESA-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