General Information of the Compound
| Compound ID |
CP0949832
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| Compound Name |
(2E)-2-(1-{5-bromo-2-[(4-cyanobenzyl)oxy]-3-methoxyphenyl}ethylidene)hydrazinecarboximidamide
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| Structure |
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| Formula |
C18H18BrN5O2
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| Molecular Weight |
416.279
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| Canonical SMILES |
COc1cc(Br)cc(/C(C)=N/NC(=N)N)c1OCc1ccc(C#N)cc1
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| InChI |
InChI=1S/C18H18BrN5O2/c1-11(23-24-18(21)22)15-7-14(19)8-16(25-2)17(15)26-10-13-5-3-12(9-20)4-6-13/h3-8H,10H2,1-2H3,(H4,21,22,24)/b23-11+
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| InChIKey |
JEKXZRYTQDSVHG-FOKLQQMPSA-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