General Information of the Compound
| Compound ID |
CP0004666
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| Compound Name |
1,3-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[4,3-e][1,2,4]triazin-5-amine
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| Structure |
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| Formula |
C16H19N7O2S
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| Molecular Weight |
373.442
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| Canonical SMILES |
Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12
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| InChI |
InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)
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| InChIKey |
IOHYMAVRQPXNQM-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