General Information of the Compound
| Compound ID |
CP0397483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O4
|
||||||||||||||||||
| Molecular Weight |
379.416
|
||||||||||||||||||
| Canonical SMILES |
COc1cn(nc1C(=O)N[C@@H](CC(O)=O)c1ccccc1C)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O4/c1-14-8-6-7-11-16(14)17(12-19(25)26)22-21(27)20-18(28-2)13-24(23-20)15-9-4-3-5-10-15/h3-11,13,17H,12H2,1-2H3,(H,22,27)(H,25,26)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFWPMJBLCXDAFL-KRWDZBQOSA-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