General Information of the Compound
| Compound ID |
CP0540747
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[N-methyl-S-(4-methylphenyl)sulfonimidoyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
383.517
|
||||||||||||||||||
| Canonical SMILES |
CN=S(=O)(NC(=O)Nc1c2CCCc2cc2CCCc12)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O2S/c1-14-9-11-17(12-10-14)27(26,22-2)24-21(25)23-20-18-7-3-5-15(18)13-16-6-4-8-19(16)20/h9-13H,3-8H2,1-2H3,(H2,22,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJUJGCUWLJTKJU-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