General Information of the Compound
| Compound ID |
CP0449660
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| Compound Name |
3-[3-(4-tert-butylphenyl)-3-hydroxypropyl]-5-(cyclohexylmethoxy)chromen-4-one
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| Structure |
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| Formula |
C29H36O4
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| Molecular Weight |
448.603
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(O)CCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C29H36O4/c1-29(2,3)23-15-12-21(13-16-23)24(30)17-14-22-19-33-26-11-7-10-25(27(26)28(22)31)32-18-20-8-5-4-6-9-20/h7,10-13,15-16,19-20,24,30H,4-6,8-9,14,17-18H2,1-3H3
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| InChIKey |
WRHSLYSXZKKWFF-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