General Information of the Compound
| Compound ID |
CP0484295
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| Compound Name |
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C17H16F3N5OS
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| Molecular Weight |
395.41
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| Canonical SMILES |
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F
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| InChI |
InChI=1S/C17H16F3N5OS/c1-17(4-5-27-16(21)25-17)10-6-9(2-3-11(10)18)24-15(26)13-8-22-12(7-23-13)14(19)20/h2-3,6-8,14H,4-5H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1
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| InChIKey |
CVKJPGNYHYLYIO-KRWDZBQOSA-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