General Information of the Compound
| Compound ID |
CP0503914
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| Compound Name |
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-[(1-methylethyl)oxy]-2-quinolinecarboxylic acid
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| Structure |
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| Formula |
C32H28Cl2N2O5
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| Molecular Weight |
591.491
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| Canonical SMILES |
CC(C)Oc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C32H28Cl2N2O5/c1-17(2)31-23(30(36-41-31)29-24(33)6-5-7-25(29)34)16-39-21-11-8-19(9-12-21)20-10-13-26-22(14-20)28(40-18(3)4)15-27(35-26)32(37)38/h5-15,17-18H,16H2,1-4H3,(H,37,38)
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| InChIKey |
PNXDDOFPVCLYFZ-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