General Information of the Compound
| Compound ID |
CP0316051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N6O2S
|
||||||||||||||||||
| Molecular Weight |
384.465
|
||||||||||||||||||
| Canonical SMILES |
Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRSXCYFNVQVBMS-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