General Information of the Compound
| Compound ID |
CP0482560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[3-(dimethylamino)propyl]-4-phenyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide;dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
498.476
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.COc1cc(OC)cc(c1)C(=O)Nc1nc(c(CCCN(C)C)s1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O3S.2ClH/c1-26(2)12-8-11-20-21(16-9-6-5-7-10-16)24-23(30-20)25-22(27)17-13-18(28-3)15-19(14-17)29-4;;/h5-7,9-10,13-15H,8,11-12H2,1-4H3,(H,24,25,27);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNCFPFSTGMPZBF-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