General Information of the Compound
| Compound ID |
CP0298651
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| Compound Name |
3-(2-chloro-4-((3-((2,6-dimethylphenoxy)methyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
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| Structure |
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| Formula |
C31H30ClNO5
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| Molecular Weight |
532.036
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| Canonical SMILES |
CC(C)c1onc(COc2c(C)cccc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C31H30ClNO5/c1-19(2)29-26(28(33-38-29)18-37-30-20(3)7-5-8-21(30)4)17-36-25-14-13-23(27(32)16-25)12-11-22-9-6-10-24(15-22)31(34)35/h5-16,19H,17-18H2,1-4H3,(H,34,35)/b12-11+
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| InChIKey |
FCAIIXKRVYSGEA-VAWYXSNFSA-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