General Information of the Compound
| Compound ID |
CP0522205
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 6-[[4-(diaminomethylideneamino)phenyl]sulfonylamino]naphthalene-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O4S
|
||||||||||||||||||
| Molecular Weight |
398.444
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc2cc(NS(=O)(=O)c3ccc(NC(N)=N)cc3)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O4S/c1-27-18(24)14-3-2-13-11-16(5-4-12(13)10-14)23-28(25,26)17-8-6-15(7-9-17)22-19(20)21/h2-11,23H,1H3,(H4,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQUIVBSSFRAUHP-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