General Information of the Compound
| Compound ID |
CP0844989
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| Compound Name |
6-Ethoxy-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 |
C25H30O5
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| Molecular Weight |
410.51
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| Canonical SMILES |
CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O
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| InChI |
InChI=1S/C25H30O5/c1-6-29-14-7-8-15-19(9-14)30-20-13-25(4,5)12-18(28)23(20)21(15)22-16(26)10-24(2,3)11-17(22)27/h7-9,21,26H,6,10-13H2,1-5H3
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| InChIKey |
RQQOYYIPVISMHP-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