General Information of the Compound
| Compound ID |
CP0569153
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| Compound Name |
3-[4-(2-tert-butylphenoxy)-3-[[4-(difluoromethoxy)phenyl]carbamoylamino]phenyl]benzoic acid
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| Structure |
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| Formula |
C31H28F2N2O5
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| Molecular Weight |
546.57
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| Canonical SMILES |
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)F)cc1)-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C31H28F2N2O5/c1-31(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(36)37)18-25(27)35-30(38)34-22-12-14-23(15-13-22)39-29(32)33/h4-18,29H,1-3H3,(H,36,37)(H2,34,35,38)
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| InChIKey |
LWVYKOVAVFDILS-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