General Information of the Compound
| Compound ID |
CP0441714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(S)-1-(4-tert-Butyl-benzenesulfonyl)-pyrrolidin-3-yloxy]-quinolin-2-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
425.554
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC[C@@H](C1)Oc1cccc2ccc(N)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O3S/c1-23(2,3)17-8-10-19(11-9-17)30(27,28)26-14-13-18(15-26)29-20-6-4-5-16-7-12-21(24)25-22(16)20/h4-12,18H,13-15H2,1-3H3,(H2,24,25)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIQACOUOJSUCFX-SFHVURJKSA-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