General Information of the Compound
| Compound ID |
CP0045382
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| Compound Name |
9a-butyl-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-tetrahydrofluoren-3-one
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| Structure |
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| Formula |
C18H19F3O2
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| Molecular Weight |
324.342
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| Canonical SMILES |
CCCCC12Cc3cc(O)ccc3C1=C(C(=O)CC2)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3O2/c1-2-3-7-17-8-6-14(23)16(18(19,20)21)15(17)13-5-4-12(22)9-11(13)10-17/h4-5,9,22H,2-3,6-8,10H2,1H3
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| InChIKey |
ZMSBWTFEDUQTFL-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