General Information of the Compound
| Compound ID |
CP0546201
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| Compound Name |
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxamide
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| Structure |
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| Formula |
C21H22F2N4O2S
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| Molecular Weight |
432.496
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| Canonical SMILES |
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3CCCOc3cn2)ccc1F
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| InChI |
InChI=1S/C21H22F2N4O2S/c1-11-18(23)21(2,27-20(24)30-11)14-9-13(5-6-15(14)22)26-19(28)16-8-12-4-3-7-29-17(12)10-25-16/h5-6,8-11,18H,3-4,7H2,1-2H3,(H2,24,27)(H,26,28)/t11-,18+,21-/m1/s1
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| InChIKey |
LTQMLVAKQYOIKN-NHTJXEOOSA-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