General Information of the Compound
| Compound ID |
CP0856356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2R)-2-hydroxy-3-(propylamino)propyl]-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)pyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
399.516
|
||||||||||||||||||
| Canonical SMILES |
CCCNC[C@@H](O)Cn1c(C)c(C(=O)c2cccs2)c(=O)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O3S/c1-3-11-22-13-17(25)14-23-15(2)19(20(26)18-10-7-12-28-18)21(27)24(23)16-8-5-4-6-9-16/h4-10,12,17,22,25H,3,11,13-14H2,1-2H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCKJIYACBBECQA-QGZVFWFLSA-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