Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LG7DL6
|
|||
| Ligand Name |
(2r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaene-3,12-Dione
|
|||
| Synonyms |
CHEMBL3594305; (2r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaene-3,12-Dione; SCHEMBL3861568; BDBM50098591; Q27454943; 4T1
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H27N5O2
|
|||
| Canonical SMILES |
C1CC2=CC=C(C=C2)C(C(=O)NCC3=CC(=CC=C3)NC(=O)C1)NC4=CC5=C(C=C4)C(=NC=C5)N
|
|||
| InChI |
1S/C28H27N5O2/c29-27-24-12-11-23(16-21(24)13-14-30-27)33-26-20-9-7-18(8-10-20)3-2-6-25(34)32-22-5-1-4-19(15-22)17-31-28(26)35/h1,4-5,7-16,26,33H,2-3,6,17H2,(H2,29,30)(H,31,35)(H,32,34)/t26-/m1/s1
|
|||
| InChIKey |
LXFPTSIBSQOGTO-AREMUKBSSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.