General Information of the Compound
| Compound ID |
CP0801303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Rac-2-(benzo[b]thiophen-5-ylmethylamino)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-5-(1-propyl-1H-pyrazol-4-yl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29N5O3S
|
||||||||||||||||||
| Molecular Weight |
539.661
|
||||||||||||||||||
| Canonical SMILES |
CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NCC3COc4ccccc4O3)c2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N5O3S/c1-2-10-35-18-23(16-34-35)22-13-25(30(36)33-17-24-19-37-26-5-3-4-6-27(26)38-24)29(32-15-22)31-14-20-7-8-28-21(12-20)9-11-39-28/h3-9,11-13,15-16,18,24H,2,10,14,17,19H2,1H3,(H,31,32)(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUEKHBCJWLRBOI-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