General Information of the Compound
| Compound ID |
CP0047614
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| Compound Name |
6-(chloromethyl)-2-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C12H14ClN5O
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| Molecular Weight |
279.731
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| Canonical SMILES |
CCOc1ccc(Nc2nc(N)nc(CCl)n2)cc1
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| InChI |
InChI=1S/C12H14ClN5O/c1-2-19-9-5-3-8(4-6-9)15-12-17-10(7-13)16-11(14)18-12/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
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| InChIKey |
GQUQMAJNMRIGRM-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2