General Information of the Compound
| Compound ID |
CP0372063
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| Compound Name |
6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C16H14ClN5
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| Molecular Weight |
311.776
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| Canonical SMILES |
Nc1nc(CCl)nc(n1)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C16H14ClN5/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,19,20,21)
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| InChIKey |
MYVHEXLYWFMBCL-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