Molecules/2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
2-[(2S)-1-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-ethylpurin-2-yl]piperidin-2-yl]ethanol
Molecular Identity
2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
2-[(2S)-1-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-ethylpurin-2-yl]piperidin-2-yl]ethanol
PubChem CID: 131953498
2D Structure
Properties
C22H26F2N8O
Molecular Formula
456.50
Molecular Weight
g/mol
456.2198
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
650
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C=NC2=C(N=C(N=C21)N3CCCCC3CCO)NCC4=NC5=C(N4)C=CC(=C5F)FIsomeric SMILES
SMILES: CCN1C=NC2=C(N=C(N=C21)N3CCCC[C@H]3CCO)NCC4=NC5=C(N4)C=CC(=C5F)FSynonyms(5)
CHEMBL46491352-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-olCJMSCHEMBL23682927BDBM50540077
Data from PubChem (NCBI)
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Molecular Structure
2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
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Drug Network
Trials and conditions connected to 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol
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