General Information of the Compound
| Compound ID |
CP0957779
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| Compound Name |
7-(Cyclohexylmethoxy)-2-(4-methylbenzyl)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C24H28O2
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| Molecular Weight |
348.486
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| Canonical SMILES |
Cc1ccc(CC2Cc3cccc(OCC4CCCCC4)c3C2=O)cc1
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| InChI |
InChI=1S/C24H28O2/c1-17-10-12-18(13-11-17)14-21-15-20-8-5-9-22(23(20)24(21)25)26-16-19-6-3-2-4-7-19/h5,8-13,19,21H,2-4,6-7,14-16H2,1H3
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| InChIKey |
NMEZHTGCEYPXMT-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