General Information of the Compound
| Compound ID |
CP0556012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[2-(4-propan-2-ylphenyl)propyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C21H32N6OS
|
||||||||||||||||||
| Molecular Weight |
416.595
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)C(C)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H32N6OS/c1-13(2)16-7-9-17(10-8-16)14(3)12-25-21(28)27-19(22)24-11-5-6-18-15(4)26-20(23)29-18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,23,26)(H4,22,24,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLGLIGBDVREXSK-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