General Information of the Compound
Compound ID |
CP0473007
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-4-phenylbutanoyl]-methylamino]acetate
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C30H38N4O6
|
||||||||||||||||||
Molecular Weight |
550.656
|
||||||||||||||||||
Canonical SMILES |
COC(=O)CN(C)C(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C30H38N4O6/c1-20(2)18-34-24(28-25(38-4)13-10-14-26(28)39-5)17-23(32-34)29(36)31-22(16-15-21-11-8-7-9-12-21)30(37)33(3)19-27(35)40-6/h7-14,17,20,22H,15-16,18-19H2,1-6H3,(H,31,36)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
NDCHJRYZZHZGFB-QFIPXVFZSA-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: PT05078, Apelin receptor
Protein ID: PT01197, Type-1 angiotensin II receptor