Alnodesertib
4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
Molecular Identity
Alnodesertib
4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
PubChem CID: 145766632
2D Structure
Properties
C18H24N6O2S
Molecular Formula
388.50
Molecular Weight
g/mol
388.1681
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
115
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
635
Complexity
SMILES
Canonical SMILES
SMILES: CC1COCCN1C2=NC(=NC(=C2)N=S(=O)(C)C3CC3)C4=CC(=NC=C4)NIsomeric SMILES
SMILES: C[C@@H]1COCCN1C2=NC(=NC(=C2)N=[S@](=O)(C)C3CC3)C4=CC(=NC=C4)NSynonyms(20)
AlnodesertibART0380ART-03802267316-76-5alnodesertib [INN]W7X77IH95RCHEMBL5505926GTPL13731YQF2814BDBM5704484-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amineUS11434233, Example 39bNSC856901AT54312compound 6 [PMID: 39630604]
Data from PubChem (NCBI)
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