General Information of the Compound
| Compound ID |
CP0204250
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9243002, 85
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H26F2N4O4S
|
||||||||||||||||||
| Molecular Weight |
612.658
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H26F2N4O4S/c1-36-33(40)30-23-15-22(27(38(2)44(3,41)42)17-29(23)43-32(30)19-7-10-20(34)11-8-19)25-12-9-18-13-14-39-26-6-4-5-24(35)21(26)16-28(39)31(18)37-25/h4-12,15-17H,13-14H2,1-3H3,(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MURUVADFDBVLDP-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: PT00013, RNA-directed RNA polymerase
Cell-based Assay