General Information of the Compound
| Compound ID |
CP0889532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-ethoxy-N-(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29N3O5S
|
||||||||||||||||||
| Molecular Weight |
531.634
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2c(O)ccc3ccccc23)c2ccc(C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N3O5S/c1-4-37-24-14-16-25(17-15-24)38(35,36)32(23-12-9-20(2)10-13-23)19-28(34)31-30-21(3)29-26-8-6-5-7-22(26)11-18-27(29)33/h5-18,33H,4,19H2,1-3H3,(H,31,34)/b30-21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDSZMQJDKINTMD-MWAVMZGNSA-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
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor