General Information of the Compound
| Compound ID |
CP0126290
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopropyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N3O2
|
||||||||||||||||||
| Molecular Weight |
403.526
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O2/c29-24(26-22-8-9-22)19-5-3-18(4-6-19)20-7-10-23-21(17-20)11-14-28(25(23)30)16-15-27-12-1-2-13-27/h3-7,10,17,22H,1-2,8-9,11-16H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOZOVXCLYGPBKD-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