![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
GW1 : Summary
Code ![](/pdbe/static/images/help.png)
|
GW1
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H14 Cl N3 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
227.691 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
Cn1ncc(Cl)c1C(=O)N2CCCCC2 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 |
Canonical SMILES
|
CACTVS |
3.385 |
Cn1ncc(Cl)c1C(=O)N2CCCCC2 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cn1c(c(cn1)Cl)C(=O)N2CCCCC2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KRGQOKCRZMRVRH-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
29 (15 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)
|
2018-06-01
|
Last modified at ![](/pdbe/static/images/help.png)
|
2018-10-05
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|