General Information of the Compound
| Compound ID |
CP0926196
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| Compound Name |
9-(4,4-Diethyl-2-hydroxy-6-oxocyclohexyl)-3,3-diethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one
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| Structure |
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| Formula |
C27H34O4
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| Molecular Weight |
422.565
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| Canonical SMILES |
CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1
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| InChI |
InChI=1S/C27H34O4/c1-5-26(6-2)13-18(28)24(19(29)14-26)23-17-11-9-10-12-21(17)31-22-16-27(7-3,8-4)15-20(30)25(22)23/h9-12,23,28H,5-8,13-16H2,1-4H3
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| InChIKey |
ATOQTGFPODCSGM-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