![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
0BZ : Summary
Code ![](/pdbe/static/images/help.png)
|
0BZ
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C17 H13 F N4 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
324.309 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3F |
SMILES
|
CACTVS |
3.370 |
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F |
Canonical SMILES
|
CACTVS |
3.370 |
OC(=O)c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)F |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H13FN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DSRXYFSONVBAKS-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)
|
2011-11-29
|
Last modified at ![](/pdbe/static/images/help.png)
|
2012-01-20
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|