General Information of the Compound
| Compound ID |
CP0536419
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| Compound Name |
1-cyclopropyl-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C20H17F2N7O2S
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| Molecular Weight |
457.466
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)CC2CC2)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
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| InChI |
InChI=1S/C20H17F2N7O2S/c21-13-5-6-14(29-32(30,31)8-11-3-4-11)15(22)17(13)28-19-12(2-1-7-23-19)16-18-20(26-9-24-16)27-10-25-18/h1-2,5-7,9-11,29H,3-4,8H2,(H,23,28)(H,24,25,26,27)
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| InChIKey |
YPINALOZMFRIOO-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
Protein ID: PT01381, Serine/threonine-protein kinase B-raf