General Information of the Compound
| Compound ID |
CP0897715
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| Compound Name |
N-(5-chloro-3-(4-(2-(2-cyanoethylamino)pyrimidin-4-yl)-1-isopropyl-1H-pyrazol-3-yl)-2-fluorophenyl)methanesulfonamide
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| Structure |
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| Formula |
C20H21ClFN7O2S
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| Molecular Weight |
477.953
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| Canonical SMILES |
CC(C)n1cc(-c2ccnc(NCCC#N)n2)c(-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
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| InChI |
InChI=1S/C20H21ClFN7O2S/c1-12(2)29-11-15(16-5-8-25-20(26-16)24-7-4-6-23)19(27-29)14-9-13(21)10-17(18(14)22)28-32(3,30)31/h5,8-12,28H,4,7H2,1-3H3,(H,24,25,26)
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| InChIKey |
MYBONFQSJQUEQD-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