General Information of the Compound
| Compound ID |
CP0023786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)cyclohexane-1,4-diamine
Show/Hide
|
||||||||||||||||||
| Formula |
C17H26N4OS2
|
||||||||||||||||||
| Molecular Weight |
366.556
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JFSGUSJACVSEKX-HAQNSBGRSA-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