General Information of the Compound
| Compound ID |
CP0268165
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| Compound Name |
N-[(1S,2S)-2-[(4aS,7aR)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]cyclopropyl]-5-fluoropyridine-2-carboxamide
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| Structure |
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| Formula |
C15H17FN4O2S
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| Molecular Weight |
336.392
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| Canonical SMILES |
NC1=N[C@]2(COC[C@H]2CS1)[C@H]1C[C@@H]1NC(=O)c1ccc(F)cn1
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| InChI |
InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10-,12-,15-/m0/s1
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| InChIKey |
OWWIYTVWTQBRDL-FGAILIKWSA-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