General Information of the Compound
| Compound ID |
CP0085203
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| Compound Name |
N-[3-[(4aS,7aS)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
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| Synonyms |
1262036-50-9
2CQ62IWB67
CHEMBL2396989
GTPL6475
LY 2886721
LY-2886721
LY2886721
MLS006011070
N-(3-((4aS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide
N-{3-[(4as,7as)-2-Amino-4a,5-Dihydro-4h-Furo[3,4-D][1,3]thiazin-7a(7h)-Yl]-4-Fluorophenyl}-5-Fluoropyridine-2-Carboxamide
NIDRNVHMMDAAIK-YPMLDQLKSA-N
SCHEMBL966802
UNII-2CQ62IWB67
n-(3-((4as,7as)-2-amino-4a,5-dihydro-4h-furo(3,4-d)(1,3)thiazin-7a(7h)-yl)-4-fluorophenyl)-5-fluoro-2-pyridinecarboxamide
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| Structure |
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| Formula |
C18H16F2N4O2S
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| Molecular Weight |
390.415
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| Canonical SMILES |
NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
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| InChI |
InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
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| InChIKey |
NIDRNVHMMDAAIK-YPMLDQLKSA-N
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| CAS |
1262036-50-9
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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
Clinical Information about the Compound