General Information of the Compound
| Compound ID |
CP0114052
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| Compound Name |
2,6-difluoro-N-(2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
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| Structure |
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| Formula |
C22H19F2N5O3S
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| Molecular Weight |
471.489
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccccc2)c1F
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| InChI |
InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)28-17-9-8-16(23)20(21(17)24)22(30)26-15-12-25-19-11-18(27-29(19)13-15)14-6-4-3-5-7-14/h3-9,11-13,28H,2,10H2,1H3,(H,26,30)
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| InChIKey |
ZMQCXSYWTICDLW-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