General Information of the Compound
| Compound ID |
CP0420061
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| Compound Name |
(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-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 |
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1
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| InChI |
InChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1
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| InChIKey |
ZNDAYQFTAYAHER-IRXDYDNUSA-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