General Information of the Compound
| Compound ID |
CP0960692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-({[3-(1H-1,3-Benzodiazol-2-yl)propyl]amino}methyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide trihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24Cl3FN6OS
|
||||||||||||||||||
| Molecular Weight |
533.888
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.Cl.O=C(NCc1ncccc1F)c1csc(CNCCCc2nc3ccccc3[nH]2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN6OS.3ClH/c22-14-5-3-10-24-17(14)11-25-21(29)18-13-30-20(28-18)12-23-9-4-8-19-26-15-6-1-2-7-16(15)27-19;;;/h1-3,5-7,10,13,23H,4,8-9,11-12H2,(H,25,29)(H,26,27);3*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDFQHNMWYFEACV-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