General Information of the Compound
| Compound ID |
CP0511174
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-tert-Butylamino-2-hydroxy-propyl)-5-methyl-2-phenyl-4-(thiophene-2-carbonyl)-1,2-dihydro-pyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
413.543
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1CC(O)CNC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O3S/c1-15-19(20(27)18-11-8-12-29-18)21(28)25(16-9-6-5-7-10-16)24(15)14-17(26)13-23-22(2,3)4/h5-12,17,23,26H,13-14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGJVDTYLWBJYDF-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