General Information of the Compound
| Compound ID |
CP0463049
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| Compound Name |
N-[3-(dimethylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
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| Structure |
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| Formula |
C18H20F2N6O3S
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| Molecular Weight |
438.46
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(N(C)C)c3c2)c1F
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| InChI |
InChI=1S/C18H20F2N6O3S/c1-4-7-30(28,29)25-13-6-5-12(19)14(15(13)20)18(27)22-10-8-11-16(21-9-10)23-24-17(11)26(2)3/h5-6,8-9,25H,4,7H2,1-3H3,(H,22,27)(H,21,23,24)
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| InChIKey |
RBRLMIRWHYZLCE-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