General Information of the Compound
| Compound ID |
CP0198901
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| Compound Name |
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C21H17F2N9O2S
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| Molecular Weight |
497.491
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
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| InChI |
InChI=1S/C21H17F2N9O2S/c1-10-19(11(2)31-30-10)35(33,34)32-14-6-5-13(22)17(15(14)23)29-20-12(4-3-7-24-20)16-18-21(27-8-25-16)28-9-26-18/h3-9,32H,1-2H3,(H,24,29)(H,30,31)(H,25,26,27,28)
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| InChIKey |
GOZZYNGIYPRQOB-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