General Information of the Compound
| Compound ID |
CP0359991
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| Compound Name |
(4S)-4-[2,4-difluoro-5-[[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C16H20F5N3S
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| Molecular Weight |
381.414
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| Canonical SMILES |
CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F
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| InChI |
InChI=1S/C16H20F5N3S/c1-14(2,16(19,20)21)23-8-9-6-10(12(18)7-11(9)17)15(3)4-5-25-13(22)24-15/h6-7,23H,4-5,8H2,1-3H3,(H2,22,24)/t15-/m0/s1
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| InChIKey |
JMOHXAUCSPMQGB-HNNXBMFYSA-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