General Information of the Compound
| Compound ID |
CP0731357
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| Compound Name |
N-(2,4-Difluoro-3-(3-(3-methoxy-1H-pyrazolo[3,4-d]-pyrimidin-4-yl)ureido)phenyl)propane-1-sulfonamide
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| Structure |
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| Formula |
C16H17F2N7O4S
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| Molecular Weight |
441.42
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F
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| InChI |
InChI=1S/C16H17F2N7O4S/c1-3-6-30(27,28)25-9-5-4-8(17)12(11(9)18)21-16(26)22-13-10-14(20-7-19-13)23-24-15(10)29-2/h4-5,7,25H,3,6H2,1-2H3,(H3,19,20,21,22,23,24,26)
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| InChIKey |
DSTRIYGNZWQWJL-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