General Information of the Compound
| Compound ID |
CP0926509
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| Compound Name |
6-Fluoro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
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| Structure |
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| Formula |
C23H25FO4
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| Molecular Weight |
384.447
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| Canonical SMILES |
CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1
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| InChI |
InChI=1S/C23H25FO4/c1-22(2)8-14(25)20(15(26)9-22)19-13-6-5-12(24)7-17(13)28-18-11-23(3,4)10-16(27)21(18)19/h5-7,19,25H,8-11H2,1-4H3
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| InChIKey |
DORGZLYIEIHAJZ-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