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(Q72437339)
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English
(2E)-N-(2-Amino-4-fluorophenyl)-3-[1-(3-phenyl-2-propen-1-yl)-1H-pyrazol-4-yl]-2-propenamide
chemical compound
RGFP 966
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
362.15428944800004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₉FN₄O
0 references
canonical SMILES
Nc1cc(F)ccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
Nc1cc(F)ccc1NC(=O)/C=C/c1cnn(C/C=C/c2ccccc2)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
0 references
InChIKey
BLVQHYHDYFTPDV-VCABWLAWSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1357389-11-7
0 references
SureChEMBL ID
SCHEMBL12497868
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BLVQHYHDYFTPDV-VCABWLAWSA-N
SCHEMBL12497867
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BLVQHYHDYFTPDV-VCABWLAWSA-N
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