General Information of the Compound
| Compound ID |
CP0569197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19FN4OS
|
||||||||||||||||||
| Molecular Weight |
418.497
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19FN4OS/c24-17-6-1-4-15(12-17)20-14-30-22(26-20)21-8-3-11-28(21)23(29)27-19-7-2-5-16-13-25-10-9-18(16)19/h1-2,4-7,9-10,12-14,21H,3,8,11H2,(H,27,29)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTSMILRZVSNPNM-NRFANRHFSA-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 | |||||||||||||||||||
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