General Information of the Compound
| Compound ID |
CP0297356
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| Compound Name |
3-[5-({[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid
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| Structure |
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| Formula |
C28H22Cl2N2O5
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| Molecular Weight |
537.399
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc2C(=O)N(Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C28H22Cl2N2O5/c1-15(2)26-21(25(31-37-26)24-22(29)7-4-8-23(24)30)14-36-19-9-10-20-17(12-19)13-32(27(20)33)18-6-3-5-16(11-18)28(34)35/h3-12,15H,13-14H2,1-2H3,(H,34,35)
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| InChIKey |
QEEYEAMTDYXYCY-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