General Information of the Compound
| Compound ID |
CP0454404
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| Compound Name |
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-methyl-2-quinolinecarboxylic acid
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| Structure |
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| Formula |
C30H24Cl2N2O4
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| Molecular Weight |
547.438
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(C)c2c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C30H24Cl2N2O4/c1-16(2)29-22(28(34-38-29)27-23(31)5-4-6-24(27)32)15-37-20-10-7-18(8-11-20)19-9-12-25-21(14-19)17(3)13-26(33-25)30(35)36/h4-14,16H,15H2,1-3H3,(H,35,36)
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| InChIKey |
LPDMOXCFDSOKOZ-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