General Information of the Compound
| Compound ID |
CP0473283
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(6-chloropyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12ClN5S
|
||||||||||||||||||
| Molecular Weight |
317.805
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Nc2nc-3c(CCCc4[nH]ncc-34)s2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12ClN5S/c15-11-5-2-6-12(17-11)18-14-19-13-8-7-16-20-9(8)3-1-4-10(13)21-14/h2,5-7H,1,3-4H2,(H,16,20)(H,17,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGQHIYMCJOYPBR-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