General Information of the Compound
| Compound ID |
CP0538025
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| Compound Name |
(4S,6S)-4-(2,4-difluorophenyl)-6-[5-(4-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C21H18F3N3OS
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| Molecular Weight |
417.456
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| Canonical SMILES |
Cc1noc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H18F3N3OS/c1-11-18(19(28-27-11)12-3-5-13(22)6-4-12)17-10-21(2,26-20(25)29-17)15-8-7-14(23)9-16(15)24/h3-9,17H,10H2,1-2H3,(H2,25,26)/t17-,21-/m0/s1
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| InChIKey |
MSOZKIYEHOFBRD-UWJYYQICSA-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