General Information of the Compound
| Compound ID |
CP0506648
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| Compound Name |
(3E,5E)-3-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-propan-2-yl-5-[(3,5,6-trimethylpyrazin-2-yl)methylidene]piperidin-4-one
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| Structure |
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
COc1cc(Cl)c(\C=C2/CN(C\C(=C/c3nc(C)c(C)nc3C)C2=O)C(C)C)cc1OC
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| InChI |
InChI=1S/C25H30ClN3O3/c1-14(2)29-12-19(8-18-10-23(31-6)24(32-7)11-21(18)26)25(30)20(13-29)9-22-17(5)27-15(3)16(4)28-22/h8-11,14H,12-13H2,1-7H3/b19-8+,20-9+
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| InChIKey |
XJGBVDCXGFMFGB-PQEHHWQQSA-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