General Information of the Compound
| Compound ID |
CP0408709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-2-(4-fluorophenyl)-N,5-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23FN2O4S
|
||||||||||||||||||
| Molecular Weight |
430.501
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1c(oc2cc3N(CCC[C@@H](C)c3cc12)S(C)(=O)=O)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23FN2O4S/c1-13-5-4-10-25(30(3,27)28)18-12-19-17(11-16(13)18)20(22(26)24-2)21(29-19)14-6-8-15(23)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,26)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYGWCQMTRPAMGJ-CYBMUJFWSA-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