General Information of the Compound
| Compound ID |
CP0493220
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| Compound Name |
5-(cyclohexylmethyl)-3-(3-hydroxypropoxy)-2-propan-2-ylchromen-4-one
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| Structure |
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| Formula |
C22H30O4
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| Molecular Weight |
358.478
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| Canonical SMILES |
CC(C)c1oc2cccc(CC3CCCCC3)c2c(=O)c1OCCCO
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| InChI |
InChI=1S/C22H30O4/c1-15(2)21-22(25-13-7-12-23)20(24)19-17(10-6-11-18(19)26-21)14-16-8-4-3-5-9-16/h6,10-11,15-16,23H,3-5,7-9,12-14H2,1-2H3
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| InChIKey |
INAFFPWIWGRCPI-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