General Information of the Compound
| Compound ID |
CP0316884
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| Compound Name |
3-(2-chloro-4-((3-((2,6-dichlorophenylamino)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C29H25Cl3N2O4
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| Molecular Weight |
571.888
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| Canonical SMILES |
CC(C)c1onc(CNc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C29H25Cl3N2O4/c1-17(2)28-22(26(34-38-28)15-33-27-23(30)7-4-8-24(27)31)16-37-21-12-11-19(25(32)14-21)10-9-18-5-3-6-20(13-18)29(35)36/h3-14,17,33H,15-16H2,1-2H3,(H,35,36)/b10-9+
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| InChIKey |
FIEQTERVDPPZLJ-MDZDMXLPSA-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