General Information of the Compound
| Compound ID |
CP0519405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-Hydroxy-3-isopropylamino-propyl)-5-methyl-2-phenyl-4-(3-phenyl-propionyl)-1,2-dihydro-pyrazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O3
|
||||||||||||||||||
| Molecular Weight |
421.541
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NCC(O)Cn1c(C)c(C(=O)CCc2ccccc2)c(=O)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O3/c1-18(2)26-16-22(29)17-27-19(3)24(23(30)15-14-20-10-6-4-7-11-20)25(31)28(27)21-12-8-5-9-13-21/h4-13,18,22,26,29H,14-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNSZEGKDVYSKEE-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