![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
69W : Summary
Code ![](/pdbe/static/images/help.png)
|
69W
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C15 H14 N4
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
250.298 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
Nc1cccc(c1)c2cc(ccc2)c3c(N)nnc3 |
SMILES
|
CACTVS |
3.385 |
Nc1cccc(c1)c2cccc(c2)c3cn[nH]c3N |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1cccc(c1)c2cccc(c2)c3cn[nH]c3N |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XJQYSQDWCYFLKB-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
33 (19 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)
|
2016-02-23
|
Last modified at ![](/pdbe/static/images/help.png)
|
2016-04-01
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|