General Information of the Compound
| Compound ID |
CP0955263
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| Compound Name |
N-(3-((2S,5R)-6-Amino-2-(fluoromethyl)-5-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-2,2,3,3-d4-7-carboxamide
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| Structure |
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| Formula |
C22H24F2N4O5S
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| Molecular Weight |
498.5444071
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| Canonical SMILES |
[2H]C1([2H])Oc2cnc(C(=O)Nc3ccc(F)c([C@]4(CF)CC[C@@](C)(S(C)(=O)=O)C(N)=N4)c3)cc2OC1([2H])[2H]
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| InChI |
InChI=1S/C22H24F2N4O5S/c1-21(34(2,30)31)5-6-22(12-23,28-20(21)25)14-9-13(3-4-15(14)24)27-19(29)16-10-17-18(11-26-16)33-8-7-32-17/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m1/s1/i7D2,8D2
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| InChIKey |
MBCUELYFGMRTJD-KEHGVXACSA-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