General Information of the Compound
| Compound ID |
CP0440237
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| Compound Name |
US9243002, 72
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| Structure |
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| Formula |
C34H28F2N4O4S
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| Molecular Weight |
626.685
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C34H28F2N4O4S/c1-37-34(41)31-24-16-23(28(39(2)45(3,42)43)18-30(24)44-33(31)20-9-12-21(35)13-10-20)26-14-11-19-6-5-15-40-27-8-4-7-25(36)22(27)17-29(40)32(19)38-26/h4,7-14,16-18H,5-6,15H2,1-3H3,(H,37,41)
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| InChIKey |
AQTBQCHUFYSOQT-UHFFFAOYSA-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: PT00013, RNA-directed RNA polymerase
Cell-based Assay