General Information of the Compound
| Compound ID |
CP0566944
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| Compound Name |
2-methoxy-5-[3-(phenylcarbamoylamino)-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C31H28N2O5
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| Molecular Weight |
508.574
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2)c1
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| InChI |
InChI=1S/C31H28N2O5/c1-37-27-16-14-21(18-25(27)30(34)35)22-15-17-29(38-28-13-7-9-20-8-5-6-12-24(20)28)26(19-22)33-31(36)32-23-10-3-2-4-11-23/h2-4,7,9-11,13-19H,5-6,8,12H2,1H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
DYMHHJTUCZTBRT-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