![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
QMY : Summary
Code ![](/pdbe/static/images/help.png)
|
QMY
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C18 H15 F2 N5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
339.342 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4cccc(C)n4 |
SMILES
|
CACTVS |
3.385 |
Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WLMJUROXDOGLTR-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
40 (25 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2019-11-22
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-01-31
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|