General Information of the Compound
| Compound ID |
CP0448780
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| Compound Name |
2-N,2-N-dimethyl-6-[(1-naphthalen-1-yltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C17H17N9S
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| Molecular Weight |
379.453
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| Canonical SMILES |
CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1
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| InChI |
InChI=1S/C17H17N9S/c1-25(2)16-20-14(19-15(18)21-16)10-27-17-22-23-24-26(17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H2,18,19,20,21)
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| InChIKey |
KEGAOGGMAQQKFO-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: PT06172, Mothers against decapentaplegic homolog 3