General Information of the Compound
| Compound ID |
CP0294029
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| Compound Name |
3-{[5-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazoly]methyl}oxy)-1H-indol-1-yl]carbonyl}benzoic 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(c1COc1ccc2n(ccc2c1)C(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H22Cl2N2O5/c1-16(2)27-21(26(32-38-27)25-22(30)7-4-8-23(25)31)15-37-20-9-10-24-17(14-20)11-12-33(24)28(34)18-5-3-6-19(13-18)29(35)36/h3-14,16H,15H2,1-2H3,(H,35,36)
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| InChIKey |
UMTHYRBJTMSSET-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