General Information of the Compound
| Compound ID |
CP0267202
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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]-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine-8-carboxamide
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| Structure |
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| Formula |
C23H26F2N4O5S
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| Molecular Weight |
508.547
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| Canonical SMILES |
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCCOc3cn2)ccc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H26F2N4O5S/c1-22(35(2,31)32)6-7-23(13-24,29-21(22)26)15-10-14(4-5-16(15)25)28-20(30)17-11-18-19(12-27-17)34-9-3-8-33-18/h4-5,10-12H,3,6-9,13H2,1-2H3,(H2,26,29)(H,28,30)/t22-,23-/m1/s1
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| InChIKey |
ILGKWKASFQDIRD-DHIUTWEWSA-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