General Information of the Compound
| Compound ID |
CP0460520
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(1R,2R)-2-[[4-(3-cyanophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N5O
|
||||||||||||||||||
| Molecular Weight |
425.536
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC[C@@H]1C[C@H]1CN1CCN(CC1)c1cccc(c1)C#N)c1ccnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N5O/c27-16-19-4-3-5-22(14-19)31-12-10-30(11-13-31)18-21-15-20(21)17-29-26(32)24-8-9-28-25-7-2-1-6-23(24)25/h1-9,14,20-21H,10-13,15,17-18H2,(H,29,32)/t20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBVAEHJQNKKTNL-SFTDATJTSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor