General Information of the Compound
| Compound ID |
CP0384923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Benzoyl-1-(3-tert-butylamino-2-hydroxy-propyl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N3O3
|
||||||||||||||||||
| Molecular Weight |
407.514
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1CC(O)CNC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N3O3/c1-17-21(22(29)18-11-7-5-8-12-18)23(30)27(19-13-9-6-10-14-19)26(17)16-20(28)15-25-24(2,3)4/h5-14,20,25,28H,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUZLGKFLNHHSCB-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