General Information of the Compound
| Compound ID |
CP0191810
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| Compound Name |
3-(4-((3-(tert-butoxymethyl)-5-isopropylisoxazol-4-yl)methoxy)-2-chlorostyryl)benzoic acid
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| Structure |
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| Formula |
C27H30ClNO5
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| Molecular Weight |
483.992
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| Canonical SMILES |
CC(C)c1onc(COC(C)(C)C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
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| InChI |
InChI=1S/C27H30ClNO5/c1-17(2)25-22(24(29-34-25)16-33-27(3,4)5)15-32-21-12-11-19(23(28)14-21)10-9-18-7-6-8-20(13-18)26(30)31/h6-14,17H,15-16H2,1-5H3,(H,30,31)/b10-9+
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| InChIKey |
DZYAVCZWDRKSCB-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