![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
O4G : Summary
Code ![](/pdbe/static/images/help.png)
|
O4G
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C20 H16 N2 O5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
364.351 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C(Nc1cc(ccc1)NC(c3ccc2OCCOc2c3)=O)(c4ccco4)=O |
SMILES
|
CACTVS |
3.385 |
O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4occc4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4 |
Canonical SMILES
|
CACTVS |
3.385 |
O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4occc4 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H16N2O5/c23-19(13-6-7-16-18(11-13)27-10-9-26-16)21-14-3-1-4-15(12-14)22-20(24)17-5-2-8-25-17/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QWGFUNDUGLPNFS-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
43 (27 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)
|
2019-06-07
|
Last modified at ![](/pdbe/static/images/help.png)
|
2019-08-23
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|