General Information of the Compound
| Compound ID |
CP0426036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-propan-2-ylsulfonyl-5-pyridin-3-yl-2,3-dihydroindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18N2O2S
|
||||||||||||||||||
| Molecular Weight |
302.399
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)N1CCc2cc(ccc12)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N2O2S/c1-12(2)21(19,20)18-9-7-14-10-13(5-6-16(14)18)15-4-3-8-17-11-15/h3-6,8,10-12H,7,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFPNOJCJVZWNRH-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