General Information of the Compound
| Compound ID |
CP0426441
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| Compound Name |
1-(4-(6-((1H- pyrazolo[4,3-b] pyridin-3-yl)amino) benzo[d] isothiazol-3-yl)piperidin- 1-yl)ethan-1-one
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| Structure |
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| Formula |
C20H20N6OS
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| Molecular Weight |
392.488
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| Canonical SMILES |
CC(=O)N1CCC(CC1)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12
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| InChI |
InChI=1S/C20H20N6OS/c1-12(27)26-9-6-13(7-10-26)18-15-5-4-14(11-17(15)28-25-18)22-20-19-16(23-24-20)3-2-8-21-19/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,22,23,24)
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| InChIKey |
DUMICWTUDQOWDB-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