![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
OW8 : Summary
Code ![](/pdbe/static/images/help.png)
|
OW8
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C8 H11 N3 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
165.192 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
CNC(=O)c1n[nH]c2CCCc12 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CNC(=O)c1c2c([nH]n1)CCC2 |
Canonical SMILES
|
CACTVS |
3.385 |
CNC(=O)c1n[nH]c2CCCc12 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CNC(=O)c1c2c([nH]n1)CCC2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H11N3O/c1-9-8(12)7-5-3-2-4-6(5)10-11-7/h2-4H2,1H3,(H,9,12)(H,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | TYDCMCXSYOEORK-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
23 (12 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)
|
2020-04-06
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-07-10
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|