General Information of the Compound
| Compound ID |
CP0399544
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| Compound Name |
5-[[2-[(4-tert-butylbenzoyl)amino]-4-methoxybenzoyl]amino]-2-methylbenzoic acid
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| Structure |
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| Formula |
C27H28N2O5
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| Molecular Weight |
460.53
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| Canonical SMILES |
COc1ccc(C(=O)Nc2ccc(C)c(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
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| InChI |
InChI=1S/C27H28N2O5/c1-16-6-11-19(14-22(16)26(32)33)28-25(31)21-13-12-20(34-5)15-23(21)29-24(30)17-7-9-18(10-8-17)27(2,3)4/h6-15H,1-5H3,(H,28,31)(H,29,30)(H,32,33)
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| InChIKey |
GNXYLFBWMJCUEM-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