General Information of the Compound
| Compound ID |
CP0561926
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| Compound Name |
(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-methyl-6-(5-methyl-1,2-oxazol-4-yl)-4,5-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C19H17F2N5OS
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| Molecular Weight |
401.442
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| Canonical SMILES |
Cc1oncc1[C@]1(C)C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1
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| InChI |
InChI=1S/C19H17F2N5OS/c1-10-14(8-25-27-10)19(2)5-17(26-18(22)28-19)13-3-12(15(20)4-16(13)21)11-6-23-9-24-7-11/h3-4,6-9,17H,5H2,1-2H3,(H2,22,26)/t17-,19-/m0/s1
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| InChIKey |
FEBKATWSJYJAHE-HKUYNNGSSA-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