General Information of the Compound
| Compound ID |
CP0540429
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| Compound Name |
3-[4-(2-tert-butylphenoxy)-3-[(3-methylphenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C31H30N2O4
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| Molecular Weight |
494.591
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)c1
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| InChI |
InChI=1S/C31H30N2O4/c1-20-9-7-12-24(17-20)32-30(36)33-26-19-22(21-10-8-11-23(18-21)29(34)35)15-16-28(26)37-27-14-6-5-13-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
XKRKCLXACCAXIS-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