General Information of the Compound
| Compound ID |
CP0539159
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| Compound Name |
5-[[2-[(4-tert-butylbenzoyl)amino]-4-chlorobenzoyl]amino]-2-methylbenzoic acid
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| Structure |
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| Formula |
C26H25ClN2O4
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| Molecular Weight |
464.949
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
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| InChI |
InChI=1S/C26H25ClN2O4/c1-15-5-11-19(14-21(15)25(32)33)28-24(31)20-12-10-18(27)13-22(20)29-23(30)16-6-8-17(9-7-16)26(2,3)4/h5-14H,1-4H3,(H,28,31)(H,29,30)(H,32,33)
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| InChIKey |
YLCDUXHFPWUNOF-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