General Information of the Compound
| Compound ID |
CP0545039
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| Compound Name |
2-[4-[3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]phenyl]acetic acid
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| Structure |
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| Formula |
C30H33FN2O6
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| Molecular Weight |
536.6
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| Canonical SMILES |
CC(C)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(CC(O)=O)cc2)c1
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| InChI |
InChI=1S/C30H33FN2O6/c1-20(2)19-30(37)11-13-33(14-12-30)29(36)32-23-16-26(38-24-7-3-21(4-8-24)15-28(34)35)18-27(17-23)39-25-9-5-22(31)6-10-25/h3-10,16-18,20,37H,11-15,19H2,1-2H3,(H,32,36)(H,34,35)
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| InChIKey |
QCUXYYRTAQYVIJ-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