General Information of the Compound
| Compound ID |
CP0310421
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| Compound Name |
6-methoxycomaparvin
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| Formula |
C18H18O6
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| Molecular Weight |
330.336
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| Canonical SMILES |
CCCc1cc(=O)c2c(O)c(OC)c3cc(O)cc(OC)c3c2o1
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| InChI |
InChI=1S/C18H18O6/c1-4-5-10-8-12(20)15-16(21)17(23-3)11-6-9(19)7-13(22-2)14(11)18(15)24-10/h6-8,19,21H,4-5H2,1-3H3
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| InChIKey |
IUFQFEBTSUUHDT-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