General Information of the Compound
| Compound ID |
CP0276893
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| Compound Name |
4,9a-dibutyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
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| Structure |
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| Formula |
C21H28O2
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| Molecular Weight |
312.453
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| Canonical SMILES |
CCCCC1=C2c3ccc(O)cc3CC2(CCCC)CCC1=O
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| InChI |
InChI=1S/C21H28O2/c1-3-5-7-18-19(23)10-12-21(11-6-4-2)14-15-13-16(22)8-9-17(15)20(18)21/h8-9,13,22H,3-7,10-12,14H2,1-2H3
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| InChIKey |
OPGFNEMXUAVHOH-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