General Information of the Compound
| Compound ID |
CP0159027
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| Compound Name |
3-aryl isoxazole analog, 6d
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| Structure |
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| Formula |
C27H21Cl3N2O4
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| Molecular Weight |
543.834
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C27H21Cl3N2O4/c1-15(2)26-20(25(32-36-26)24-22(29)12-31-13-23(24)30)14-35-19-9-8-17(21(28)11-19)7-6-16-4-3-5-18(10-16)27(33)34/h3-13,15H,14H2,1-2H3,(H,33,34)/b7-6+
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| InChIKey |
CCOJMMHFLKMSGW-VOTSOKGWSA-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