General Information of the Compound
| Compound ID |
CP0560227
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| Compound Name |
7-fluoro-N-[1-[[3-fluoro-4-[(2E)-2-(2-methylpropoxyimino)ethoxy]phenyl]methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C28H31F2N3O5
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| Molecular Weight |
527.568
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| Canonical SMILES |
CC(C)CO\N=C\COc1ccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)cc1F
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| InChI |
InChI=1S/C28H31F2N3O5/c1-18(2)17-37-31-9-12-36-25-6-3-19(13-23(25)30)16-33-10-7-21(8-11-33)32-28(35)27-15-24(34)22-5-4-20(29)14-26(22)38-27/h3-6,9,13-15,18,21H,7-8,10-12,16-17H2,1-2H3,(H,32,35)/b31-9+
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| InChIKey |
WGXXTIHJEXZLJF-LODFRUGASA-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