General Information of the Compound
| Compound ID |
CP0410278
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
14-(4-fluorophenyl)-N,2-dimethyl-9-methylsulfonyl-13-oxa-3,4,5,6,9-pentazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),4,6,11,14,16-hexaene-15-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19FN6O4S
|
||||||||||||||||||
| Molecular Weight |
470.486
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(Cc4nnnn4C(C)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19FN6O4S/c1-11-14-8-15-17(9-16(14)27(33(3,30)31)10-18-24-25-26-28(11)18)32-20(19(15)21(29)23-2)12-4-6-13(22)7-5-12/h4-9,11H,10H2,1-3H3,(H,23,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SETHAJZDJPUZDW-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00149, Nonstructural protein 5A
Protein ID: PT00013, RNA-directed RNA polymerase