Enbezotinib (enantiomer)
(3R,7S,17R)-12-fluoro-17-methyl-2,16-dioxa-8,14,19,23,24,26-hexazahexacyclo[22.3.1.03,7.08,27.010,15.021,25]octacosa-1(28),10(15),11,13,21(25),22,26-heptaen-20-one
Molecular Identity
Enbezotinib (enantiomer)
(3R,7S,17R)-12-fluoro-17-methyl-2,16-dioxa-8,14,19,23,24,26-hexazahexacyclo[22.3.1.03,7.08,27.010,15.021,25]octacosa-1(28),10(15),11,13,21(25),22,26-heptaen-20-one
PubChem CID: 153506575
2D Structure
Properties
C21H21FN6O3
Molecular Formula
424.40
Molecular Weight
g/mol
424.1659
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
93.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
702
Complexity
SMILES
Canonical SMILES
SMILES: CC1CNC(=O)C2=C3N=C4C(=CN3N=C2)OC5CCCC5N4CC6=C(O1)N=CC(=C6)FIsomeric SMILES
SMILES: C[C@@H]1CNC(=O)C2=C3N=C4C(=CN3N=C2)O[C@@H]5CCC[C@@H]5N4CC6=C(O1)N=CC(=C6)FSynonyms(20)
2359650-19-2TPX-0046Enbezotinib (enantiomer)(13E,14E,15aS,18aR,5R)-35-fluoro-5-methyl-15,15a,16,17,18,18a-hexahydro-4-oxa-7-aza-1(5,3)-cyclopenta[b]pyrazolo[1',5':1,2]pyrimido[4,5-e][1,4]oxazina-3(3,2)-pyridinacyclooctaphan-8-one(3R,7S,17R)-12-FLUORO-17-METHYL-2,16-DIOXA-8,14,19,23,24,26-HEXAAZAHEXACYCLO[22.3.1.0(3,7).0(8,27).0(10,15).0(21,25)]OCTACOSA-1(28),10,12,14,21(25),22,26-HEPTAEN-20-ONE(3R,7S,17R)-12-fluoro-17-methyl-2,16-dioxa-8,14,19,23,24,26-hexazahexacyclo[22.3.1.03,7.08,27.010,15.021,25]octacosa-1(28),10(15),11,13,21(25),22,26-heptaen-20-oneorb1304091SCHEMBL22105217C21H21FN6O3TPX 0046,TPX0046TPX-0046, 10 mM in DMSOAKOS040754608(15aS,18aR,5R)-35-Fluoro-5-methyl-15,15a,16,17,18,18a-hexahydro-4-oxa-7-aza-1(5,3)-cyclopenta[b]pyrazolo[1',5':1,2]pyrimido[4,5-e][1,4]oxazina-3(3,2)-pyridinacyclooctaphan-8-oneTS-08826HY-148015
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Enbezotinib (enantiomer)
Loading drug network...