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(Q72457710)
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English
4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
399.09205887600007
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
CPI-203
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₁₈ClN₅OS
0 references
canonical SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(N)=O)c1nnc(C)n1-2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(N)=O)c1nnc(C)n1-2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1
0 references
InChIKey
QECMENZMDBOLDR-AWEZNQCLSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
202591-23-9
0 references
PubChem CID
71291068
1 reference
matched by identifier from
InChIKey
InChIKey
QECMENZMDBOLDR-AWEZNQCLSA-N
SureChEMBL ID
SCHEMBL14756224
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QECMENZMDBOLDR-AWEZNQCLSA-N
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