General Information of the Compound
| Compound ID |
CP0873081
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| Compound Name |
2-(4-Chlorobenzyl)-7-(cyclohexylmethoxy)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C23H25ClO2
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| Molecular Weight |
368.904
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| Canonical SMILES |
O=C1c2c(cccc2OCC2CCCCC2)CC1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H25ClO2/c24-20-11-9-16(10-12-20)13-19-14-18-7-4-8-21(22(18)23(19)25)26-15-17-5-2-1-3-6-17/h4,7-12,17,19H,1-3,5-6,13-15H2
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| InChIKey |
UBUNPOXYKKQHAT-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