General Information of the Compound
| Compound ID |
CP0280956
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| Compound Name |
3-(2-chloro-4-((5-cyclobutyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C29H22Cl3NO4
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| Molecular Weight |
554.857
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| Canonical SMILES |
OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1
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| InChI |
InChI=1S/C29H22Cl3NO4/c30-23-8-3-9-24(31)26(23)27-22(28(37-33-27)19-5-2-6-19)16-36-21-13-12-18(25(32)15-21)11-10-17-4-1-7-20(14-17)29(34)35/h1,3-4,7-15,19H,2,5-6,16H2,(H,34,35)/b11-10+
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| InChIKey |
HQCOQYGJAPTGIE-ZHACJKMWSA-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