Theliatinib
(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
Molecular Identity
Theliatinib
(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
PubChem CID: 54759275
2D Structure
Properties
C25H26N6O2
Molecular Formula
442.50
Molecular Weight
g/mol
442.2117
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
82.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
754
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Theliatinibxiliertinib6ZZ3B7NZ0BUNII-6ZZ3B7NZ0BXILIERTINIB [INN]XILIERTINIB [WHO-DD]RefChem:189162HMPL 309(3aR,6aR)-N-(4-(3-ethynylanilino)-7-methoxy-4,4a-dihydroquinazolin-6-yl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo(2,3-c)pyrrole-5-carboxamide(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxy-4,4a-dihydroquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamideHMPL3091353644-70-8HMPL-309Theliatinib (HMPL-309)(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
Data from PubChem (NCBI)
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