General Information of the Compound
| Compound ID |
CP0395953
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| Compound Name |
6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-1-isoquinolinecarboxylic acid
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| Structure |
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| Formula |
C29H22Cl2N2O4
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| Molecular Weight |
533.411
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(nccc2c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H22Cl2N2O4/c1-16(2)28-22(26(33-37-28)25-23(30)4-3-5-24(25)31)15-36-20-9-6-17(7-10-20)18-8-11-21-19(14-18)12-13-32-27(21)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
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| InChIKey |
BXPOPJDCYZQYJQ-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