General Information of the Compound
| Compound ID |
CP0025722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)-5-methylpiperidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26N4O2S2
|
||||||||||||||||||
| Molecular Weight |
394.566
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SSMMYRQDZBSVCY-NWDGAFQWSA-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