General Information of the Compound
| Compound ID |
CP0451119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-[1-(4-nitrobenzoyl)piperidin-4-yl]-3H-benzimidazol-5-yl] isoquinoline-5-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23N5O6S
|
||||||||||||||||||
| Molecular Weight |
557.588
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1nc2cc(OS(=O)(=O)c3cccc4cnccc34)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23N5O6S/c34-28(19-4-6-21(7-5-19)33(35)36)32-14-11-18(12-15-32)27-30-24-9-8-22(16-25(24)31-27)39-40(37,38)26-3-1-2-20-17-29-13-10-23(20)26/h1-10,13,16-18H,11-12,14-15H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDXOUOVUYZNJPR-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