Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LABN84
|
|||
| Ligand Name |
4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
|
|||
| Synonyms |
4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile; HRE; CHEMBL3691779; SCHEMBL14993842
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C27H25ClN8O3
|
|||
| Canonical SMILES |
CC(C)C1=C2C(N(C(=O)C2=NN1C3=CN=C(N=C3OC)N(C)C)C4=CC(=CNC4=O)Cl)C5=CC=C(C=C5)C#N
|
|||
| InChI |
1S/C27H25ClN8O3/c1-14(2)22-20-21(33-36(22)19-13-31-27(34(3)4)32-25(19)39-5)26(38)35(18-10-17(28)12-30-24(18)37)23(20)16-8-6-15(11-29)7-9-16/h6-10,12-14,23H,1-5H3,(H,30,37)/t23-/m0/s1
|
|||
| InChIKey |
VFMRTUQQYDQOGC-QHCPKHFHSA-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.