General Information of the Compound
| Compound ID |
CP0201469
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| Compound Name |
4-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1H-indol-1-yl]methyl}benzoic acid
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| Structure |
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| Formula |
C29H24Cl2N2O4
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| Molecular Weight |
535.427
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc2n(Cc3ccc(cc3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)4-3-5-24(26)31)16-36-21-10-11-25-20(14-21)12-13-33(25)15-18-6-8-19(9-7-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
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| InChIKey |
LSFNFWWXXQOPLW-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