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| Ligand Name: N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]prop-2-enamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB395 |
PubChem:
91668194
|
Synonym(s):
- mavelertinib
- pf-06747775
- 1776112-90-3
- n-((3r,4r)-4-fluoro-1-(6-((3-methoxy-1-methyl-1h-pyrazol-4-yl)amino)-9-methyl-9h-purin-2-yl)pyrrolidin-3-yl)acrylamide
- unii-yxx2180047
- yxx2180047
- pf06747775
- n-[(3r,4r)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide
- mavelertinib [usan]
- mavelertinib (usan/inn)
- gtpl9765
- chembl3989970
- schembl16714537
- bdbm50450870
- mfcd29079007
- nsc788365
- zinc231225813
- nsc-788365
- sb19002
- compound 21 [pmid: 28287730]
- egfr t790m inhibitor pf-06747775
- j3.645.972g
- d11368
- pf-06747775, >=98% (hplc)
- 2-propenamide, n-((3r,4r)-4-fluoro-1-(6-((3-methoxy-1-methyl-1h-pyrazol-4-yl)amino)-9-methyl-9h-purin-2-yl)-3-pyrrolidinyl)-
- n-((3r,4r)-4-fluoro-1-(6-((3-methoxy-1-methyl-1h-pyrazol -4-yl)amino)-9-methyl-9h-purin-2-yl)pyrrolidin-3-yl)acrylamide
show 25 synonym(s)
|
| DrugBank: DB16228 |
ChEMBL: CHEMBL3989970 |
| Canonical SMILES: COc1nn(C)cc1Nc2nc(nc(c23)n(cn3)C)N4C[C@@H](F)[C@@H](C4)NC(=O)C=C |
| Standard InChI: InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1 |
| Molecular Formula: C18H22FN9O2 |
Mol. Weight: 415.18805 |
logP: 0.6779 |
| HBD: 2 | HBA: 10 |
| #Rotatable Bonds: 6 | TPSA: 115.02 |