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| Ligand Name: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-1-yl]methyl}phenyl)prop-2-enamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB178 |
PubChem:
91825767
|
Synonym(s):
- fiin-2
- 1633044-56-0
- chembl4065323
- n-(4-((3-(3,5-dimethoxyphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2h)-yl)methyl)phenyl)acrylamide
- fiin2
- schembl17857061
- bcp14779
- ex-a1742
- bdbm50232829
- s7714
- akos025287401
- zinc250363839
- ccg-270298
- cs-5343
- ncgc00484066-01
- ac-32963
- hy-18602
- ds-015817
- a12357
show 18 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4065323 |
| Canonical SMILES: COc1cc(OC)cc(c1)N1Cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2N(Cc2ccc(NC(=O)C=C)cc2)C1=O |
| Standard InChI: InChI=1S/C35H38N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h5-13,18-21H,1,14-17,22-23H2,2-4H3,(H,37,44)(H,36,38,39) |
| Molecular Formula: C35H38N8O4 |
Mol. Weight: 634.3016 |
logP: 5.2605 |
| HBD: 2 | HBA: 9 |
| #Rotatable Bonds: 10 | TPSA: 115.4 |