General Information of the Compound
| Compound ID |
CP0557546
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| Compound Name |
2-[4-(2-tert-butylanilino)-3-[(4-methylphenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C31H31N3O3
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| Molecular Weight |
493.607
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| Canonical SMILES |
Cc1ccc(NC(=O)Nc2cc(ccc2Nc2ccccc2C(C)(C)C)-c2ccccc2C(O)=O)cc1
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| InChI |
InChI=1S/C31H31N3O3/c1-20-13-16-22(17-14-20)32-30(37)34-28-19-21(23-9-5-6-10-24(23)29(35)36)15-18-27(28)33-26-12-8-7-11-25(26)31(2,3)4/h5-19,33H,1-4H3,(H,35,36)(H2,32,34,37)
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| InChIKey |
MUZZLRXXSHMNFM-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