General Information of the Compound
| Compound ID |
CP0479882
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| Compound Name |
3-[4-(2-tert-butylphenoxy)-3-(phenylcarbamoylamino)phenyl]benzoic acid
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| Structure |
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| Formula |
C30H28N2O4
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| Molecular Weight |
480.564
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccccc1)-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C30H28N2O4/c1-30(2,3)24-14-7-8-15-26(24)36-27-17-16-21(20-10-9-11-22(18-20)28(33)34)19-25(27)32-29(35)31-23-12-5-4-6-13-23/h4-19H,1-3H3,(H,33,34)(H2,31,32,35)
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| InChIKey |
IYAFTDWPDPCALL-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