General Information of the Compound
| Compound ID |
CP0522956
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| Compound Name |
4-[[1-[5-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C34H31N3O5
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| Molecular Weight |
561.638
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2ccc(cc2)C(O)=O)CC1
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| InChI |
InChI=1S/C34H31N3O5/c1-22-29-19-26(24-5-3-2-4-6-24)9-13-30(29)42-32(22)33(38)36-27-10-14-31(35-20-27)37-17-15-23(16-18-37)21-41-28-11-7-25(8-12-28)34(39)40/h2-14,19-20,23H,15-18,21H2,1H3,(H,36,38)(H,39,40)
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| InChIKey |
MBOKQVGKPHLGKG-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