General Information of the Compound
| Compound ID |
CP0239421
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| Compound Name |
6-((1H-pyrazolo[4,3-b] pyridin- 3-yl)amino)-N-(3,3- difluorocyclobutyl)benzo[d] isothiazole-3-carboxamide
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| Structure |
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| Formula |
C18H14F2N6OS
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| Molecular Weight |
400.414
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| Canonical SMILES |
FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12
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| InChI |
InChI=1S/C18H14F2N6OS/c19-18(20)7-10(8-18)23-17(27)14-11-4-3-9(6-13(11)28-26-14)22-16-15-12(24-25-16)2-1-5-21-15/h1-6,10H,7-8H2,(H,23,27)(H2,22,24,25)
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| InChIKey |
NWYHEWQGANWLFU-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