General Information of the Compound
| Compound ID |
CP0559008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(N-cyano-S-pyridin-2-ylsulfonimidoyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N5O2S
|
||||||||||||||||||
| Molecular Weight |
381.461
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=NC#N)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N5O2S/c20-12-22-27(26,17-9-1-2-10-21-17)24-19(25)23-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h1-2,9-11H,3-8H2,(H2,22,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDAHMFIDUIIGMC-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