General Information of the Compound
| Compound ID |
CP0460408
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(1-Naphthylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N3O2S
|
||||||||||||||||||
| Molecular Weight |
351.431
|
||||||||||||||||||
| Canonical SMILES |
NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N3O2S/c20-10-12-22-13-18(16-8-4-11-21-19(16)22)25(23,24)17-9-3-6-14-5-1-2-7-15(14)17/h1-9,11,13H,10,12,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IQEJNMFCUWSNIB-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