General Information of the Compound
| Compound ID |
CP0566943
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| Compound Name |
5-[4-(2,3-dihydro-1H-inden-4-yloxy)-3-[(4-methylphenyl)carbamoylamino]phenyl]-2-methoxybenzoic 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(Oc2cccc3CCCc23)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C31H28N2O5/c1-19-9-13-23(14-10-19)32-31(36)33-26-18-22(21-11-15-27(37-2)25(17-21)30(34)35)12-16-29(26)38-28-8-4-6-20-5-3-7-24(20)28/h4,6,8-18H,3,5,7H2,1-2H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
VGSHITYYMFAFSK-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