General Information of the Compound
| Compound ID |
CP0221882
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| Compound Name |
(Z)-3-butylideneisobenzofuran-1(3H)-one
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| Structure |
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| Formula |
C12H12O2
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| Molecular Weight |
188.226
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| Canonical SMILES |
CCC\C=C1/OC(=O)c2ccccc12
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| InChI |
InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
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| InChIKey |
WMBOCUXXNSOQHM-FLIBITNWSA-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