General Information of the Compound
| Compound ID |
CP0375768
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| Compound Name |
2-(4-Butyl-phenyl)-indan-1,3-dione
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| Structure |
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| Formula |
C19H18O2
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| Molecular Weight |
278.351
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| Canonical SMILES |
CCCCc1ccc(cc1)C1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C19H18O2/c1-2-3-6-13-9-11-14(12-10-13)17-18(20)15-7-4-5-8-16(15)19(17)21/h4-5,7-12,17H,2-3,6H2,1H3
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| InChIKey |
QHCFXRAXJVRHEP-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