General Information of the Compound
| Compound ID |
CP0530225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[3-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-5-methoxyindol-1-yl]sulfonylquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N3O3S
|
||||||||||||||||||
| Molecular Weight |
475.614
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1CCC(=CC1)c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccc2cccnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O3S/c1-3-4-14-29-15-11-20(12-16-29)25-19-30(27-10-8-22(33-2)17-24(25)27)34(31,32)23-9-7-21-6-5-13-28-26(21)18-23/h5-11,13,17-19H,3-4,12,14-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CELNYEQWFOEVEP-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