General Information of the Compound
| Compound ID |
CP0445302
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| Compound Name |
(2E,6E)-2-[(4-bromophenyl)methylidene]-6-[(3,5-dimethoxyphenyl)methylidene]cyclohexan-1-one
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| Structure |
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| Formula |
C22H21BrO3
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| Molecular Weight |
413.311
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| Canonical SMILES |
COc1cc(OC)cc(\C=C2/CCC\C(=C/c3ccc(Br)cc3)C2=O)c1
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| InChI |
InChI=1S/C22H21BrO3/c1-25-20-12-16(13-21(14-20)26-2)11-18-5-3-4-17(22(18)24)10-15-6-8-19(23)9-7-15/h6-14H,3-5H2,1-2H3/b17-10+,18-11+
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| InChIKey |
VALHLOXXMQSXQS-ODPUSEOTSA-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