General Information of the Compound
| Compound ID |
CP0488077
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| Compound Name |
3-[[1-[2-fluoro-4-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]phenyl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C35H31FN2O5
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| Molecular Weight |
578.64
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(N2CCC(COc3cccc(c3)C(O)=O)CC2)c(F)c1
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| InChI |
InChI=1S/C35H31FN2O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-13-32(29)43-33(22)34(39)37-27-11-12-31(30(36)20-27)38-16-14-23(15-17-38)21-42-28-9-5-8-26(18-28)35(40)41/h2-13,18-20,23H,14-17,21H2,1H3,(H,37,39)(H,40,41)
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| InChIKey |
LKGAUWHHACZBME-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