General Information of the Compound
| Compound ID |
CP0100289
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| Compound Name |
9a-butyl-7-hydroxy-4-propyl-1,2,9,9a-tetrahydrofluoren-3-one
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| Structure |
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| Formula |
C20H26O2
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| Molecular Weight |
298.426
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| Canonical SMILES |
CCCCC12Cc3cc(O)ccc3C1=C(CCC)C(=O)CC2
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| InChI |
InChI=1S/C20H26O2/c1-3-5-10-20-11-9-18(22)17(6-4-2)19(20)16-8-7-15(21)12-14(16)13-20/h7-8,12,21H,3-6,9-11,13H2,1-2H3
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| InChIKey |
UZDRXGWOSNDZDM-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