General Information of the Compound
| Compound ID |
CP0514531
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| Compound Name |
3-(benzo[d][1,3]dioxol-5-yl)cyclohex-2-enone
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| Structure |
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| Formula |
C13H12O3
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| Molecular Weight |
216.236
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| Canonical SMILES |
O=C1CCCC(=C1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C13H12O3/c14-11-3-1-2-9(6-11)10-4-5-12-13(7-10)16-8-15-12/h4-7H,1-3,8H2
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| InChIKey |
MXLZCNRUWFQQCV-UHFFFAOYSA-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