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(Q106637617)
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English
elenbecestat
chemical compound
E-2609
E2609
N-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
Elenbecestat.svg
512 × 236; 6 KB
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mass
437.11333047600004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₁₈F₃N₅O₂S
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canonical SMILES
CC1C2CSC(=NC2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(N=C4)C(F)F)F)N
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isomeric SMILES
C[C@@H]1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(N=C4)C(F)F)F)N
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Identifiers
InChI
InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1
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InChIKey
AACUJFVOHGRMTR-DPXNYUHVSA-N
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CAS Registry Number
1388651-30-6
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PubChem CID
57827330
1 reference
matched by identifier from
InChIKey
InChIKey
AACUJFVOHGRMTR-DPXNYUHVSA-N
UniChem compound ID
31088886
1 reference
stated in
UniChem
Guide to Pharmacology Ligand ID
9818
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
5 February 2021
DrugBank ID
DB15391
1 reference
matched by identifier from
InChIKey
InChIKey
AACUJFVOHGRMTR-DPXNYUHVSA-N
UNII
RXJ96XL94H
1 reference
matched by identifier from
InChIKey
InChIKey
AACUJFVOHGRMTR-DPXNYUHVSA-N
Probes And Drugs ID
PD076489
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