General Information of the Compound
| Compound ID |
CP0545952
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| Compound Name |
(3R,5S)-8-(4-fluorophenyl)-N,5-dimethyl-1-methylsulfonyl-3-(methylsulfonylmethyl)-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-7-carboxamide
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| Structure |
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| Formula |
C23H25FN2O7S2
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| Molecular Weight |
524.592
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(C[C@H](CS(C)(=O)=O)O[C@@H](C)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H25FN2O7S2/c1-13-17-9-18-20(33-22(21(18)23(27)25-2)14-5-7-15(24)8-6-14)10-19(17)26(35(4,30)31)11-16(32-13)12-34(3,28)29/h5-10,13,16H,11-12H2,1-4H3,(H,25,27)/t13-,16+/m0/s1
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| InChIKey |
PCQOPPOYJPHFQB-XJKSGUPXSA-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
Protein ID: PT00149, Nonstructural protein 5A
Protein ID: PT00013, RNA-directed RNA polymerase