General Information of the Compound
| Compound ID |
CP0539285
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| Compound Name |
5-[3-[(2-fluorophenyl)carbamoylamino]-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C31H27FN2O5
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| Molecular Weight |
526.564
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2F)c1
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| InChI |
InChI=1S/C31H27FN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)
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| InChIKey |
DDKVQMQLVDEEOL-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