General Information of the Compound
| Compound ID |
CP0277073
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| Compound Name |
9a-butyl-4-chloro-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
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| Structure |
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| Formula |
C17H19ClO2
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| Molecular Weight |
290.79
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| Canonical SMILES |
CCCCC12Cc3cc(O)ccc3C1=C(Cl)C(=O)CC2
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| InChI |
InChI=1S/C17H19ClO2/c1-2-3-7-17-8-6-14(20)16(18)15(17)13-5-4-12(19)9-11(13)10-17/h4-5,9,19H,2-3,6-8,10H2,1H3
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| InChIKey |
KOLDTBGGITVAKN-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