General Information of the Compound
| Compound ID |
CP0407788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
12-thiophen-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H8N4S
|
||||||||||||||||||
| Molecular Weight |
276.324
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(cc21)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H8N4S/c16-6-10-5-11-12-4-9(14-2-1-3-20-14)7-18-15(12)19-13(11)8-17-10/h1-5,7-8H,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIPOVAOQUWRKDQ-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