General Information of the Compound
| Compound ID |
CP0089044
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| Compound Name |
(4aS,7aS)-7a-(2,4-difluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
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| Structure |
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| Formula |
C12H12F2N2OS
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| Molecular Weight |
270.304
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| Canonical SMILES |
NC1=N[C@]2(COC[C@H]2CS1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C12H12F2N2OS/c13-8-1-2-9(10(14)3-8)12-6-17-4-7(12)5-18-11(15)16-12/h1-3,7H,4-6H2,(H2,15,16)/t7-,12-/m0/s1
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| InChIKey |
PKKALIJXXMXWQH-MADCSZMMSA-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