General Information of the Compound
| Compound ID |
CP0467763
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-4-[[[5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]methyl]piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H42ClN5O4
|
||||||||||||||||||
| Molecular Weight |
644.216
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(C2CCN(CCN3C(=O)COc4ccccc34)CC2)c(c1)C(=O)NCC1CCN(CC1)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H42ClN5O4/c37-29-10-11-30(28-14-16-40(17-15-28)20-21-42-32-8-4-5-9-33(32)46-25-34(42)43)31(22-29)35(44)38-23-27-12-18-41(19-13-27)36(45)39-24-26-6-2-1-3-7-26/h1-11,22,27-28H,12-21,23-25H2,(H,38,44)(H,39,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHRDWMWOBFHRJH-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
Protein ID: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor