General Information of the Compound
| Compound ID |
CP0396060
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| Compound Name |
3-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]-4-methylbenzoic acid
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| Structure |
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| Formula |
C26H26N2O4
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| Molecular Weight |
430.504
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(C)(C)C)C(O)=O
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| InChI |
InChI=1S/C26H26N2O4/c1-16-9-10-18(25(31)32)15-22(16)28-24(30)20-7-5-6-8-21(20)27-23(29)17-11-13-19(14-12-17)26(2,3)4/h5-15H,1-4H3,(H,27,29)(H,28,30)(H,31,32)
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| InChIKey |
AIRHKPZJXSEZPQ-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