General Information of the Compound
| Compound ID |
CP0089046
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| Compound Name |
(4aR,6S,8aS)-8a-(2,4-difluorophenyl)-6-(2-methylpropyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
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| Structure |
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| Formula |
C17H22F2N2OS
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| Molecular Weight |
340.439
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| Canonical SMILES |
CC(C)C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C17H22F2N2OS/c1-10(2)5-13-6-11-8-23-16(20)21-17(11,9-22-13)14-4-3-12(18)7-15(14)19/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,20,21)/t11-,13-,17-/m0/s1
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| InChIKey |
KSUADMBOPPDFIC-BNLOLNQZSA-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