General Information of the Compound
| Compound ID |
CP0413924
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]octanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H36N10O2S2
|
||||||||||||||||||
| Molecular Weight |
536.732
|
||||||||||||||||||
| Canonical SMILES |
NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H36N10O2S2/c23-19(27-11-5-7-15-13-29-21(25)35-15)31-17(33)9-3-1-2-4-10-18(34)32-20(24)28-12-6-8-16-14-30-22(26)36-16/h13-14H,1-12H2,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKSXQJRAAANUNM-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
Protein ID: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor