General Information of the Compound
| Compound ID |
CP0473282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-ethyl-6-N-(5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-yl)pyridine-2,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18N6S
|
||||||||||||||||||
| Molecular Weight |
326.429
|
||||||||||||||||||
| Canonical SMILES |
CCNc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N6S/c1-2-17-13-7-4-8-14(19-13)20-16-21-15-10-9-18-22-11(10)5-3-6-12(15)23-16/h4,7-9H,2-3,5-6H2,1H3,(H,18,22)(H2,17,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVNDLPWNERWEJX-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