General Information of the Compound
| Compound ID |
CP0511218
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((diisobutylamino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N3S
|
||||||||||||||||||
| Molecular Weight |
367.562
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(CC(C)C)Cc1csc(Nc2cccc3ccccc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N3S/c1-16(2)12-25(13-17(3)4)14-19-15-26-22(23-19)24-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,15-17H,12-14H2,1-4H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRVKZYHKIZIVFI-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