General Information of the Compound
| Compound ID |
CP0520379
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| Compound Name |
3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
OC(=O)c1cc(NC(=O)c2ccncc2)cc(c1)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C24H23N3O3/c28-23(19-7-11-26-12-8-19)27-22-14-20(13-21(15-22)24(29)30)17-3-1-16(2-4-17)18-5-9-25-10-6-18/h1-4,7-8,11-15,18,25H,5-6,9-10H2,(H,27,28)(H,29,30)
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| InChIKey |
FJEFSXQLZKHOJS-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