General Information of the Compound
| Compound ID |
CP0100299
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| Compound Name |
(R,S)-9a-butyl-7-hydroxy-4-methyl-1,2,9,9a-tetrahydrofluoren-3-one
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| Structure |
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| Formula |
C18H22O2
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| Molecular Weight |
270.372
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| Canonical SMILES |
CCCCC12Cc3cc(O)ccc3C1=C(C)C(=O)CC2
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| InChI |
InChI=1S/C18H22O2/c1-3-4-8-18-9-7-16(20)12(2)17(18)15-6-5-14(19)10-13(15)11-18/h5-6,10,19H,3-4,7-9,11H2,1-2H3
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| InChIKey |
BLNDUDURVVLSLJ-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