General Information of the Compound
| Compound ID |
CP0036869
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| Compound Name |
3-(2-chloro-4-((3-(2,6-dichlorophenethyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C30H26Cl3NO4
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| Molecular Weight |
570.9
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| Canonical SMILES |
CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C30H26Cl3NO4/c1-18(2)29-24(28(34-38-29)14-13-23-25(31)7-4-8-26(23)32)17-37-22-12-11-20(27(33)16-22)10-9-19-5-3-6-21(15-19)30(35)36/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,35,36)/b10-9+
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| InChIKey |
NEFNDEIUAAEYCY-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