Zurletrectinib
(4S,6R,14S)-4,9-difluoro-14-methyl-13-oxa-2,11,16,18,21,22,25-heptazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-17-one
Molecular Identity
Zurletrectinib
(4S,6R,14S)-4,9-difluoro-14-methyl-13-oxa-2,11,16,18,21,22,25-heptazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-17-one
PubChem CID: 156371488
2D Structure
Properties
C19H19F2N7O2
Molecular Formula
415.40
Molecular Weight
g/mol
415.1568
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
96.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
738
Complexity
SMILES
Canonical SMILES
SMILES: CC1CNC(=O)NC2=C3N=C(C=CN3N=C2)N4CC(CC4C5=C(O1)N=CC(=C5)F)FIsomeric SMILES
SMILES: C[C@H]1CNC(=O)NC2=C3N=C(C=CN3N=C2)N4C[C@H](C[C@@H]4C5=C(O1)N=CC(=C5)F)FSynonyms(20)
Zurletrectinib2403703-30-8ICP-723ZVQ44E2H6VRefChem:1101204ICP723Zurletrectinib (USAN)Zurletrectinib [USAN](4S,6R,14S)-4,9-difluoro-14-methyl-13-oxa-2,11,16,18,21,22,25-heptazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-17-oneYinuoxin (China)zurletrectinib [INN]Zurletrectinib [WHO-DD]orb1739830CHEMBL5095426SCHEMBL23368572
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Zurletrectinib
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