Icapamespib
9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-6-amine
Molecular Identity
Icapamespib
9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-6-amine
PubChem CID: 68185467
2D Structure
Properties
C19H23IN6O2S
Molecular Formula
526.40
Molecular Weight
g/mol
526.0648
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
555
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Icapamespib1000999-96-1PU-HZ151Icapamespib [INN]447591A1PUUNII-447591A1PU9H-Purine-9-ethanamine, 6-amino-N-(2,2-dimethylpropyl)-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-RefChem:1475939-[2-(2,2-dimethylpropylamino)ethyl]-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-6-amineCHEMBL4650317SCHEMBL11980436SCHEMBL29408694PU-HZ-151GLXC-26872EX-A6060
Data from PubChem (NCBI)
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