General Information of the Compound
| Compound ID |
CP0407300
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| Compound Name |
(3E,5E)-3-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-1-methyl-5-[(3,5,6-trimethylpyrazin-2-yl)methylidene]piperidin-4-one
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| Structure |
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| Formula |
C23H26BrN3O3
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| Molecular Weight |
472.383
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| Canonical SMILES |
COc1cc(Br)c(\C=C2/CN(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC
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| InChI |
InChI=1S/C23H26BrN3O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-27(4)11-17(23(18)28)7-16-9-21(29-5)22(30-6)10-19(16)24/h7-10H,11-12H2,1-6H3/b17-7+,18-8+
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| InChIKey |
XSWMOLIBMRNOSI-ZEELXFFVSA-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