General Information of the Compound
| Compound ID |
CP0903492
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| Compound Name |
7-(Cyclohexylmethoxy)-2-(4-(methoxymethoxy)benzylidene)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C25H28O4
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| Molecular Weight |
392.495
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| Canonical SMILES |
COCOc1ccc(/C=C2\Cc3cccc(OCC4CCCCC4)c3C2=O)cc1
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| InChI |
InChI=1S/C25H28O4/c1-27-17-29-22-12-10-18(11-13-22)14-21-15-20-8-5-9-23(24(20)25(21)26)28-16-19-6-3-2-4-7-19/h5,8-14,19H,2-4,6-7,15-17H2,1H3/b21-14+
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| InChIKey |
YAEMEYWELJGSRB-KGENOOAVSA-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