General Information of the Compound
| Compound ID |
CP0475485
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| Compound Name |
(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,4-dimethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C22H20F2N4O2S
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| Molecular Weight |
442.491
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1
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| InChI |
InChI=1S/C22H20F2N4O2S/c1-29-19-4-3-12(5-20(19)30-2)21-8-18(28-22(25)31-21)15-6-14(16(23)7-17(15)24)13-9-26-11-27-10-13/h3-7,9-11,18,21H,8H2,1-2H3,(H2,25,28)/t18-,21-/m0/s1
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| InChIKey |
FUYTUUXGSUBQML-RXVVDRJESA-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