General Information of the Compound
| Compound ID |
CP0435758
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| Compound Name |
3-[(4-methylbenzoyl)amino]-5-(4-piperidin-4-ylphenyl)benzoic acid
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C(O)=O
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| InChI |
InChI=1S/C26H26N2O3/c1-17-2-4-21(5-3-17)25(29)28-24-15-22(14-23(16-24)26(30)31)19-8-6-18(7-9-19)20-10-12-27-13-11-20/h2-9,14-16,20,27H,10-13H2,1H3,(H,28,29)(H,30,31)
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| InChIKey |
AKVFCJQRWGJBJL-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