General Information of the Compound
| Compound ID |
CP0454403
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| Compound Name |
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-hydroxy-2-quinolinecarboxylic acid
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| Structure |
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| Formula |
C29H22Cl2N2O5
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| Molecular Weight |
549.41
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(O)c2c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H22Cl2N2O5/c1-15(2)28-20(27(33-38-28)26-21(30)4-3-5-22(26)31)14-37-18-9-6-16(7-10-18)17-8-11-23-19(12-17)25(34)13-24(32-23)29(35)36/h3-13,15H,14H2,1-2H3,(H,32,34)(H,35,36)
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| InChIKey |
XXWRHSKMRQPKKZ-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