General Information of the Compound
| Compound ID |
CP0005408
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| Compound Name |
1,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[4,3-e][1,2,4]triazin-5-amine
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| Structure |
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| Formula |
C17H22N8O2S
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| Molecular Weight |
402.484
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1
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| InChI |
InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)
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| InChIKey |
NZWBYPUCGPIPHB-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: PT01071, Tyrosine-protein kinase ABL1
Cell Viability or Cytotoxicity Assay