General Information of the Compound
| Compound ID |
CP0432857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(S)-1-(4-tert-Butyl-benzyl)-pyrrolidin-3-yloxy]-quinolin-2-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N3O
|
||||||||||||||||||
| Molecular Weight |
375.516
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CN2CC[C@@H](C2)Oc2cccc3ccc(N)nc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N3O/c1-24(2,3)19-10-7-17(8-11-19)15-27-14-13-20(16-27)28-21-6-4-5-18-9-12-22(25)26-23(18)21/h4-12,20H,13-16H2,1-3H3,(H2,25,26)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDBNKIYLWFCYOA-FQEVSTJZSA-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