General Information of the Compound
| Compound ID |
CP0413802
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| Compound Name |
4-[3-(3,4-difluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]benzoic acid
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| Structure |
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| Formula |
C29H30F2N2O6
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| Molecular Weight |
540.563
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| Canonical SMILES |
CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(O)=O)cc(Oc2ccc(F)c(F)c2)c1
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| InChI |
InChI=1S/C29H30F2N2O6/c1-18(2)17-29(37)9-11-33(12-10-29)28(36)32-20-13-23(38-21-5-3-19(4-6-21)27(34)35)15-24(14-20)39-22-7-8-25(30)26(31)16-22/h3-8,13-16,18,37H,9-12,17H2,1-2H3,(H,32,36)(H,34,35)
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| InChIKey |
OPXCZLVWSZDHEE-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