General Information of the Compound
| Compound ID |
CP0531981
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| Compound Name |
(4S,6S)-4-(2,4-difluorophenyl)-4-methyl-6-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C20H18F2N4OS
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| Molecular Weight |
400.454
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| Canonical SMILES |
Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1cccnc1
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| InChI |
InChI=1S/C20H18F2N4OS/c1-11-17(18(26-27-11)12-4-3-7-24-10-12)16-9-20(2,25-19(23)28-16)14-6-5-13(21)8-15(14)22/h3-8,10,16H,9H2,1-2H3,(H2,23,25)/t16-,20-/m0/s1
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| InChIKey |
VLPSLYZWKLZFLW-JXFKEZNVSA-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