General Information of the Compound
| Compound ID |
CP0423459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-methyl-5-phenylpentyl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C21H32N6OS
|
||||||||||||||||||
| Molecular Weight |
416.595
|
||||||||||||||||||
| Canonical SMILES |
CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N6OS/c1-15(8-6-11-17-9-4-3-5-10-17)14-25-21(28)27-19(22)24-13-7-12-18-16(2)26-20(23)29-18/h3-5,9-10,15H,6-8,11-14H2,1-2H3,(H2,23,26)(H4,22,24,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYUKINNXLNULMD-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
Protein ID: PT01357, Histamine H2 receptor