General Information of the Compound
| Compound ID |
CP0574847
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| Compound Name |
2-[4-(2-tert-butyl-N-methylanilino)-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C32H33N3O3
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| Molecular Weight |
507.634
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| Canonical SMILES |
CN(c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O)c1ccccc1C(C)(C)C
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| InChI |
InChI=1S/C32H33N3O3/c1-21-14-17-23(18-15-21)33-31(38)34-27-20-22(24-10-6-7-11-25(24)30(36)37)16-19-29(27)35(5)28-13-9-8-12-26(28)32(2,3)4/h6-20H,1-5H3,(H,36,37)(H2,33,34,38)
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| InChIKey |
UVKMXORYDMPGJX-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