![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
NVK : Summary
Code ![](/pdbe/static/images/help.png)
|
NVK
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C17 H13 N5 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
319.317 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AKMNUCBQGHFICM-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
37 (24 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)
|
2019-12-16
|
Last modified at ![](/pdbe/static/images/help.png)
|
2019-12-27
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|