General Information of the Compound
| Compound ID |
CP0065380
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| Compound Name |
6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C14H12ClN5
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| Molecular Weight |
285.738
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| Canonical SMILES |
Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
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| InChI |
InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,16,17,18,19,20)
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| InChIKey |
TUHLIPYSHRIRKP-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2