General Information of the Compound
| Compound ID |
CP0003424
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| Compound Name |
N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1,3-dimethylpyrazolo[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 |
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12
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| InChI |
InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)
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| InChIKey |
CJUMHULYGOVTNU-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