General Information of the Compound
| Compound ID |
CP0413800
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| Compound Name |
4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]benzoic acid
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| Structure |
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| Formula |
C29H31FN2O6
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| Molecular Weight |
522.573
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| Canonical SMILES |
CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(O)=O)c1
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| InChI |
InChI=1S/C29H31FN2O6/c1-19(2)18-29(36)11-13-32(14-12-29)28(35)31-22-15-25(37-23-7-3-20(4-8-23)27(33)34)17-26(16-22)38-24-9-5-21(30)6-10-24/h3-10,15-17,19,36H,11-14,18H2,1-2H3,(H,31,35)(H,33,34)
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| InChIKey |
OWBQAZROQFUWPF-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