General Information of the Compound
| Compound ID |
CP0169387
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| Compound Name |
3-[[1-[5-[(3-phenoxybenzoyl)amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C31H29N3O5
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| Molecular Weight |
523.589
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| Canonical SMILES |
OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
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| InChI |
InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37)
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| InChIKey |
RBDSYHYBFFEKPK-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