General Information of the Compound
| Compound ID |
CP0558815
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| Compound Name |
(5S)-8-(4-fluorophenyl)-N,4,5-trimethyl-1-methylsulfonyl-3-oxo-2,5-dihydrofuro[3,2-h][1,4]benzodiazepine-7-carboxamide
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| Structure |
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| Formula |
C22H22FN3O5S
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| Molecular Weight |
459.499
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CC(=O)N(C)[C@@H](C)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H22FN3O5S/c1-12-15-9-16-18(10-17(15)26(32(4,29)30)11-19(27)25(12)3)31-21(20(16)22(28)24-2)13-5-7-14(23)8-6-13/h5-10,12H,11H2,1-4H3,(H,24,28)/t12-/m0/s1
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| InChIKey |
SACSPYSBNKVOBE-LBPRGKRZSA-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