General Information of the Compound
| Compound ID |
CP0556656
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| Compound Name |
(2S)-14-(4-fluorophenyl)-N,2-dimethyl-9-methylsulfonyl-13-oxa-3,4,5,9-tetrazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),4,6,11,14,16-hexaene-15-carboxamide
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| Structure |
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| Formula |
C22H20FN5O4S
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| Molecular Weight |
469.498
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| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(Cc4cnnn4[C@@H](C)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H20FN5O4S/c1-12-16-8-17-19(9-18(16)27(33(3,30)31)11-15-10-25-26-28(12)15)32-21(20(17)22(29)24-2)13-4-6-14(23)7-5-13/h4-10,12H,11H2,1-3H3,(H,24,29)/t12-/m0/s1
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| InChIKey |
AKXKWVKQWVIUCK-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