General Information of the Compound
| Compound ID |
CP0573259
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| Compound Name |
N-[3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-methyl-5-methylsulfonyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C20H22F3N5O4S
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| Molecular Weight |
485.488
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| Canonical SMILES |
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C20H22F3N5O4S/c1-19(33(2,30)31)5-6-20(10-21,28-18(19)24)13-7-12(3-4-14(13)23)27-17(29)15-8-26-16(9-25-15)32-11-22/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,28)(H,27,29)/t19-,20-/m1/s1
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| InChIKey |
JBARGSXIUKTHNW-WOJBJXKFSA-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