General Information of the Compound
| Compound ID |
CP0380862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11S)-5-ethyl-N-[(1R)-1-naphthalen-2-ylethyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H24N2O3S
|
||||||||||||||||||
| Molecular Weight |
468.578
|
||||||||||||||||||
| Canonical SMILES |
CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H24N2O3S/c1-3-30-24-17-22(14-15-26(24)34(33)25-11-7-6-10-23(25)28(30)32)27(31)29-18(2)20-13-12-19-8-4-5-9-21(19)16-20/h4-18H,3H2,1-2H3,(H,29,31)/t18-,34+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGIPSUCYDDNAQY-JTYJAPAGSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor