General Information of the Compound
| Compound ID |
CP0090614
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| Compound Name |
3-(2-chloro-4-((3-((2,5-dichlorophenoxy)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C29H24Cl3NO5
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| Molecular Weight |
572.872
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| Canonical SMILES |
CC(C)c1onc(COc2cc(Cl)ccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C29H24Cl3NO5/c1-17(2)28-23(26(33-38-28)16-37-27-13-21(30)9-11-24(27)31)15-36-22-10-8-19(25(32)14-22)7-6-18-4-3-5-20(12-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)/b7-6+
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| InChIKey |
HDFHVAMJJAEJFK-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