General Information of the Compound
| Compound ID |
CP0496703
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| Compound Name |
N-ethyl-4-fluoro-N-[3,3,3-trifluoro-2-hydroxy-2-[[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C24H24F4N6O3S
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| Molecular Weight |
552.554
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| Canonical SMILES |
CCN(CC(O)(CNc1nc(C)nc2n(ncc12)-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24F4N6O3S/c1-3-33(38(36,37)19-11-9-17(25)10-12-19)15-23(35,24(26,27)28)14-29-21-20-13-30-34(18-7-5-4-6-8-18)22(20)32-16(2)31-21/h4-13,35H,3,14-15H2,1-2H3,(H,29,31,32)
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| InChIKey |
XHBTXVJADQMDTA-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