![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
LBO : Summary
Code ![](/pdbe/static/images/help.png)
|
LBO
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C17 H18 N2 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
266.338 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1 |
SMILES
|
CACTVS |
3.385 |
Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PTTAFUMPUWHBTC-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
38 (20 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)
|
2023-08-15
|
Last modified at ![](/pdbe/static/images/help.png)
|
2023-11-03
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|