General Information of the Compound
| Compound ID |
CP0514316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-(4-methylpiperazin-1-yl)thiazol-2-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27ClN4OS
|
||||||||||||||||||
| Molecular Weight |
406.983
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)(C)C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27ClN4OS/c1-20(2,3)17(14-5-7-15(21)8-6-14)18(26)23-19-22-13-16(27-19)25-11-9-24(4)10-12-25/h5-8,13,17H,9-12H2,1-4H3,(H,22,23,26)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVWZESZRODUNDT-KRWDZBQOSA-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