General Information of the Compound
| Compound ID |
CP0488078
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| Compound Name |
3-[[1-[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 |
C35H32N2O5
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| Molecular Weight |
560.65
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(cc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
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| InChI |
InChI=1S/C35H32N2O5/c1-23-31-21-26(25-6-3-2-4-7-25)10-15-32(31)42-33(23)34(38)36-28-11-13-29(14-12-28)37-18-16-24(17-19-37)22-41-30-9-5-8-27(20-30)35(39)40/h2-15,20-21,24H,16-19,22H2,1H3,(H,36,38)(H,39,40)
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| InChIKey |
BQHDCLXLDVBPKB-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