General Information of the Compound
| Compound ID |
CP0495491
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1H-indol-2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N3OS
|
||||||||||||||||||
| Molecular Weight |
335.432
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1cc2ccccc2[nH]1)Nc1sc2CCCCc2c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N3OS/c20-11-15-14-6-2-4-8-17(14)24-19(15)22-18(23)10-13-9-12-5-1-3-7-16(12)21-13/h1,3,5,7,9,21H,2,4,6,8,10H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDMLPWVVYBXYFV-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