![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
9P1 : Summary
Code ![](/pdbe/static/images/help.png)
|
9P1
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C19 H22 N4
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
306.405 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3 |
SMILES
|
CACTVS |
3.385 |
CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N |
Canonical SMILES
|
CACTVS |
3.385 |
CN(C)c1ccc(CNCc2ccc3ccc(N)nc3c2)cc1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JEOSSXMVBYPUED-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
45 (23 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)
|
2017-05-24
|
Last modified at ![](/pdbe/static/images/help.png)
|
2017-08-11
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|