General Information of the Compound
| Compound ID |
CP0435755
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| Compound Name |
3-[(4-cyanobenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid
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| Structure |
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| Formula |
C26H23N3O3
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| Molecular Weight |
425.488
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| Canonical SMILES |
OC(=O)c1cc(NC(=O)c2ccc(cc2)C#N)cc(c1)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C26H23N3O3/c27-16-17-1-3-21(4-2-17)25(30)29-24-14-22(13-23(15-24)26(31)32)19-7-5-18(6-8-19)20-9-11-28-12-10-20/h1-8,13-15,20,28H,9-12H2,(H,29,30)(H,31,32)
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| InChIKey |
TXUCGLJAJYUWIX-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