Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LBVF87
|
|||
| Ligand Name |
N-{2-[6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-YL]ethyl}acetamide
|
|||
| Synonyms |
N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE; 2g1r; 3IG; 1,4-benzoxazin-3-one, 20; CHEMBL240355; SCHEMBL21067327; BDBM17983; DB07059; diaminopyrimidine renin inhibitor compound, 6; J3.647.619B; Q27095974; N-[2-[6-(2,4-Diamino-6-ethylpyrimidine-5-yl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzooxazine-4-yl]ethyl]acetamide; N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]ethyl}acetamide
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C20H26N6O3
|
|||
| Canonical SMILES |
CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OC(C(=O)N3CCNC(=O)C)(C)C
|
|||
| InChI |
1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)
|
|||
| InChIKey |
GBXSOZDYCSBLQX-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.