General Information of the Compound
| Compound ID |
CP0498322
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-cycloheptane-1,3-dione
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| Structure |
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| Formula |
C14H14O4
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| Molecular Weight |
246.262
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| Canonical SMILES |
O=C1CCCCC(=O)C1c1ccc2OCOc2c1
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| InChI |
InChI=1S/C14H14O4/c15-10-3-1-2-4-11(16)14(10)9-5-6-12-13(7-9)18-8-17-12/h5-7,14H,1-4,8H2
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| InChIKey |
XHGQHGZRCHXXGW-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