General Information of the Compound
| Compound ID |
CP0361808
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| Compound Name |
(NE)-N-[(2E,6E)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-4-methyl-6-[(3,5,6-trimethylpyrazin-2-yl)methylidene]cyclohexylidene]hydroxylamine
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| Structure |
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| Formula |
C24H28BrN3O3
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| Molecular Weight |
486.41
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| Canonical SMILES |
COc1cc(Br)c(\C=C2/CC(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)cc1OC
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| InChI |
InChI=1S/C24H28BrN3O3/c1-13-7-18(9-17-11-22(30-5)23(31-6)12-20(17)25)24(28-29)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13,29H,7-8H2,1-6H3/b18-9+,19-10+,28-24+
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| InChIKey |
CPKHEFISZPLMBT-POLYYXPVSA-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