General Information of the Compound
| Compound ID |
CP0433976
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| Compound Name |
(6-((1H-pyrazolo[4,3-b] pyridin-3-yl)amino) benzo[d]isothiazol-3-yl) (4,4-difluoropiperidin-1-yl) methanone
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| Structure |
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| Formula |
C19H16F2N6OS
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| Molecular Weight |
414.441
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| Canonical SMILES |
FC1(F)CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12
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| InChI |
InChI=1S/C19H16F2N6OS/c20-19(21)5-8-27(9-6-19)18(28)15-12-4-3-11(10-14(12)29-26-15)23-17-16-13(24-25-17)2-1-7-22-16/h1-4,7,10H,5-6,8-9H2,(H2,23,24,25)
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| InChIKey |
MXGSKOMLNVUMSY-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