Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L50CLX
|
|||
| Ligand Name |
N-[[3-[[(1S,2R)-2-[[(E)-2-cyano-4,4-dimethylpent-2-enoyl]amino]cyclopentyl]oxymethyl]phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C34H45N5O3
|
|||
| Canonical SMILES |
CC(C)(C)C=C(C#N)C(=O)NC1CCCC1OCC2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CN4CCN(CC4)C
|
|||
| InChI |
1S/C34H45N5O3/c1-34(2,3)20-29(21-35)33(41)37-30-9-6-10-31(30)42-24-27-8-5-7-26(19-27)22-36-32(40)28-13-11-25(12-14-28)23-39-17-15-38(4)16-18-39/h5,7-8,11-14,19-20,30-31H,6,9-10,15-18,22-24H2,1-4H3,(H,36,40)(H,37,41)/b29-20+/t30-,31+/m1/s1
|
|||
| InChIKey |
BUZJOXNDWIIWSG-PIBQMUJDSA-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.