General Information of the Compound
| Compound ID |
CP0419814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[2-methyl-3-(4-methylphenyl)propyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C20H30N6OS
|
||||||||||||||||||
| Molecular Weight |
402.568
|
||||||||||||||||||
| Canonical SMILES |
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)Cc1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N6OS/c1-13-6-8-16(9-7-13)11-14(2)12-24-20(27)26-18(21)23-10-4-5-17-15(3)25-19(22)28-17/h6-9,14H,4-5,10-12H2,1-3H3,(H2,22,25)(H4,21,23,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIZMGZSJEDDVNF-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