General Information of the Compound
| Compound ID |
CP0364315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C31H46ClN5O4
|
||||||||||||||||||
| Molecular Weight |
588.193
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H45N5O4.ClH/c1-39-27-14-9-15-28(40-2)30(27)26-21-25(34-36(26)24-12-4-5-13-24)31(38)33-23(16-19-35-17-6-3-7-18-35)20-29(37)32-22-10-8-11-22;/h9,14-15,21-24H,3-8,10-13,16-20H2,1-2H3,(H,32,37)(H,33,38);1H/t23-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRIQYJXARQJMMJ-BQAIUKQQSA-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 | |||||||||||||||||||
| 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: PT05077, Apelin receptor
Protein ID: PT05078, Apelin receptor
Protein ID: PT01197, Type-1 angiotensin II receptor