General Information of the Compound
| Compound ID |
CP0271837
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| Compound Name |
6-[2-(Chloro-cyclohexyl-methyl)-4,6-dimethyl-phenoxymethyl]-4-hydroxy-tetrahydro-pyran-2-one
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| Structure |
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| Formula |
C21H29ClO4
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| Molecular Weight |
380.912
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| Canonical SMILES |
Cc1cc(C)c(OCC2C[C@@H](O)CC(=O)O2)c(c1)C(Cl)C1CCCCC1
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| InChI |
InChI=1S/C21H29ClO4/c1-13-8-14(2)21(25-12-17-10-16(23)11-19(24)26-17)18(9-13)20(22)15-6-4-3-5-7-15/h8-9,15-17,20,23H,3-7,10-12H2,1-2H3/t16-,17?,20?/m1/s1
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| InChIKey |
JEIUHLQCZMJKSE-ZRZPHAQCSA-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