General Information of the Compound
| Compound ID |
CP0368808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]nonanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H42N10O2S2
|
||||||||||||||||||
| Molecular Weight |
578.813
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVDUUTISXASABV-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