Ibezapolstat
2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one
Molecular Identity
Ibezapolstat
2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one
PubChem CID: 136022209
2D Structure
Properties
C18H20Cl2N6O2
Molecular Formula
423.30
Molecular Weight
g/mol
422.1025
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
588
Complexity
SMILES
Canonical SMILES
SMILES: C1COCCN1CCN2C=NC3=C2C(=O)NC(=N3)NCC4=CC(=C(C=C4)Cl)ClIsomeric SMILES
SMILES: C1COCCN1CCN2C=NC3=C2C(=O)NC(=N3)NCC4=CC(=C(C=C4)Cl)ClSynonyms(20)
Ibezapolstat1275582-97-2ACX-362E5K543KNC5P2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one2-((3,4-dichlorophenyl)methylamino)-7-(2-morpholin-4-ylethyl)-1H-purin-6-oneRefChem:147563Ibezapolstat [USAN]UNII-5K543KNC5PWHO 11365Ibezapolstat (USAN)2-[[(3,4-Dichlorophenyl)methyl]amino]-1,7-dihydro-7-[2-(4-morpholinyl)ethyl]-6H-purin-6-one6H-Purin-6-one, 2-(((3,4-dichlorophenyl)methyl)amino)-1,7-dihydro-7-(2-(4-morpholinyl)ethyl)-2-((3,4-Dichlorobenzyl)amino)-7-(2-morpholinoethyl)-3,7-dihydro-6H-purin-6-one2-(3,4-Dichloro-benzylamino)-7-(2-morpholin-4-yl-ethyl)-1,7-dihydro-purin-6-one
Data from PubChem (NCBI)
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