General Information of the Compound
| Compound ID |
CP0426442
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| Compound Name |
6-((1H-pyrazolo[3,4-b] pyrazin-3- yl)amino)-N-(3,3- difluorocyclobutyl) benzo[d] isothiazole-3- carboxamide
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| Structure |
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| Formula |
C17H13F2N7OS
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| Molecular Weight |
401.402
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| Canonical SMILES |
FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4nccnc34)ccc12
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| InChI |
InChI=1S/C17H13F2N7OS/c18-17(19)6-9(7-17)23-16(27)12-10-2-1-8(5-11(10)28-26-12)22-15-13-14(24-25-15)21-4-3-20-13/h1-5,9H,6-7H2,(H,23,27)(H2,21,22,24,25)
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| InChIKey |
RLIVXCAGHPQRMT-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