General Information of the Compound
| Compound ID |
CP0354458
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| Compound Name |
US10568884, Cpd 29
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| Structure |
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| Formula |
C18H20ClFN6O2S
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| Molecular Weight |
438.916
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| Canonical SMILES |
CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C
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| InChI |
InChI=1S/C18H20ClFN6O2S/c1-10(2)26-9-13(14-5-6-22-18(21-3)23-14)17(24-26)12-7-11(19)8-15(16(12)20)25-29(4,27)28/h5-10,25H,1-4H3,(H,21,22,23)
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| InChIKey |
LDNRMMCYKPMHQR-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: PT00861, Mitogen-activated protein kinase 14
Protein ID: PT01381, Serine/threonine-protein kinase B-raf