General Information of the Compound
| Compound ID |
CP0423739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-hexylurea
Show/Hide
|
||||||||||||||||||
| Formula |
C17H24N6OS
|
||||||||||||||||||
| Molecular Weight |
360.487
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCNC(=O)\N=C(/N)Nc1cccc(c1)-c1csc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N6OS/c1-2-3-4-5-9-20-17(24)23-15(18)21-13-8-6-7-12(10-13)14-11-25-16(19)22-14/h6-8,10-11H,2-5,9H2,1H3,(H2,19,22)(H4,18,20,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMIAIPKXPWLPGV-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 | |||||||||||||||||||
| 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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor