General Information of the Compound
| Compound ID |
CP0873076
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| Compound Name |
7-(Cyclohexylmethoxy)-2-(3-hydroxybenzyl)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C23H26O3
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| Molecular Weight |
350.458
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| Canonical SMILES |
O=C1c2c(cccc2OCC2CCCCC2)CC1Cc1cccc(O)c1
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| InChI |
InChI=1S/C23H26O3/c24-20-10-4-8-17(13-20)12-19-14-18-9-5-11-21(22(18)23(19)25)26-15-16-6-2-1-3-7-16/h4-5,8-11,13,16,19,24H,1-3,6-7,12,14-15H2
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| InChIKey |
CXKQYZABCCJLND-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