General Information of the Compound
| Compound ID |
CP0397475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[benzyl(ethyl)amino]propyl]-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N4O2S
|
||||||||||||||||||
| Molecular Weight |
476.646
|
||||||||||||||||||
| Canonical SMILES |
CCC(C(=O)NCCCN(CC)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O2S/c1-4-22(26(32)28-16-11-17-30(5-2)18-20-12-7-6-8-13-20)31-27(33)24-21-14-9-10-15-23(21)34-25(24)19(3)29-31/h6-10,12-15,22H,4-5,11,16-18H2,1-3H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLDIEDXPMOXHJI-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