General Information of the Compound
| Compound ID |
CP0398525
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| Compound Name |
3-[[4-bromo-2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C25H23BrN2O4
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| Molecular Weight |
495.373
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(=O)Nc1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C25H23BrN2O4/c1-25(2,3)17-9-7-15(8-10-17)22(29)28-21-14-18(26)11-12-20(21)23(30)27-19-6-4-5-16(13-19)24(31)32/h4-14H,1-3H3,(H,27,30)(H,28,29)(H,31,32)
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| InChIKey |
WSHVNYLDRAZCIO-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