General Information of the Compound
| Compound ID |
CP0259103
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| Compound Name |
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)-2-fluorophenyl]-5-chloro-2-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C17H11ClF2N6O2S
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| Molecular Weight |
436.831
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| Canonical SMILES |
Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(F)c1
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| InChI |
InChI=1S/C17H11ClF2N6O2S/c18-9-2-3-10(19)14(6-9)29(27,28)26-12-4-1-8(5-11(12)20)13-7-22-15-16(21)24-25-17(15)23-13/h1-7,26H,(H3,21,23,24,25)
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| InChIKey |
UUXHNNPPTMJKAO-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