General Information of the Compound
| Compound ID |
CP0395955
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| Compound Name |
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-4-(propyloxy)-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 |
CCCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C32H28Cl2N2O5/c1-4-14-39-28-16-27(32(37)38)35-26-13-10-20(15-22(26)28)19-8-11-21(12-9-19)40-17-23-30(36-41-31(23)18(2)3)29-24(33)6-5-7-25(29)34/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,37,38)
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| InChIKey |
VNAHAYWTLHBWGH-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