Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LA54OI
|
|||
| Ligand Name |
N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
|
|||
| Synonyms |
SM1-71; CHEMBL3883384; GTPL9699; SCHEMBL22828520; BDBM50209651; compound 5 [PMID: 28038940]; HY-136848; CS-0134014; J3.615.261C; EWH; N-(2-((5-chloro-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide; N-[2-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]phenyl]propeneamide; N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C24H26ClN7O
|
|||
| Canonical SMILES |
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl
|
|||
| InChI |
1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
|
|||
| InChIKey |
SCMLGVPMSXTUNC-UHFFFAOYSA-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.