General Information of the Compound
| Compound ID |
CP0128715
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| Compound Name |
3-(2-chloro-4-((3-((4-chlorophenoxy)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C29H25Cl2NO5
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| Molecular Weight |
538.427
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| Canonical SMILES |
CC(C)c1onc(COc2ccc(Cl)cc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C29H25Cl2NO5/c1-18(2)28-25(27(32-37-28)17-36-23-12-9-22(30)10-13-23)16-35-24-11-8-20(26(31)15-24)7-6-19-4-3-5-21(14-19)29(33)34/h3-15,18H,16-17H2,1-2H3,(H,33,34)/b7-6+
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| InChIKey |
RUIANLHQUZLHGM-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