General Information of the Compound
| Compound ID |
CP0966131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2R)-4-tert-Butylpiperazine-2-carbonyl]-N-(5-fluorothiazol-2-yl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H27FN6O2S
|
||||||||||||||||||
| Molecular Weight |
398.508
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H27FN6O2S/c1-17(2,3)24-5-4-19-12(11-24)14(25)22-6-8-23(9-7-22)16(26)21-15-20-10-13(18)27-15/h10,12,19H,4-9,11H2,1-3H3,(H,20,21,26)/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVVDOGLWFMHFCI-GFCCVEGCSA-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