![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
F9O : Summary
Code ![](/pdbe/static/images/help.png)
|
F9O
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C15 H19 Cl2 N3 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
328.237 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c(c2c1n(cn2)CCCC3C(CCCN3)O)Cl)Cl |
Canonical SMILES
|
CACTVS |
3.385 |
O[C@H]1CCCN[C@@H]1CCCn2cnc3c(Cl)c(Cl)ccc23 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c(c2c1n(cn2)CCC[C@@H]3[C@H](CCCN3)O)Cl)Cl |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H19Cl2N3O/c16-10-5-6-12-15(14(10)17)19-9-20(12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2/t11-,13+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VXCNMWNXDDMFSX-YPMHNXCESA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
40 (21 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)
|
2020-04-20
|
Last modified at ![](/pdbe/static/images/help.png)
|
2023-06-30
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|