General Information of the Compound
| Compound ID |
CP0539282
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| Compound Name |
3-[4-(2-tert-butylphenoxy)-3-[(4-chlorophenyl)carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H27ClN2O4
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| Molecular Weight |
515.009
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(Cl)cc1)-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C30H27ClN2O4/c1-30(2,3)24-9-4-5-10-26(24)37-27-16-11-20(19-7-6-8-21(17-19)28(34)35)18-25(27)33-29(36)32-23-14-12-22(31)13-15-23/h4-18H,1-3H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
SDIFUXOSOGCLGY-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