General Information of the Compound
| Compound ID |
CP0551981
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| Compound Name |
N-[4-[2-[3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1-yl]ethynyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C18H14F3N3O2S
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| Molecular Weight |
393.39
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| Canonical SMILES |
Cc1cn2cc(cc2c(n1)C#Cc1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H14F3N3O2S/c1-12-10-24-11-14(18(19,20)21)9-17(24)16(22-12)8-5-13-3-6-15(7-4-13)23-27(2,25)26/h3-4,6-7,9-11,23H,1-2H3
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| InChIKey |
LEVYARFEOGGFPR-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