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(Q76755682)
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English
4-amino-6-[[(1S)-1-(4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
372.14470713200006
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₁₆N₈O
0 references
canonical SMILES
CC(C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N
1 reference
stated in
RCSB protein data bank
PDB ligand ID
7KA
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C[C@@H](C1=NN2C=CC=C2C(=O)N1C3=CC=CC=C3)NC4=NC=NC(=C4C#N)N
0 references
Identifiers
InChI
InChI=1S/C19H16N8O/c1-12(24-17-14(10-20)16(21)22-11-23-17)18-25-26-9-5-8-15(26)19(28)27(18)13-6-3-2-4-7-13/h2-9,11-12H,1H3,(H3,21,22,23,24)/t12-/m0/s1
0 references
InChIKey
MDMKWYWCJZMADI-LBPRGKRZSA-N
0 references
PubChem CID
70674592
1 reference
matched by identifier from
InChIKey
InChIKey
MDMKWYWCJZMADI-LBPRGKRZSA-N
UniChem compound ID
32892204
1 reference
stated in
UniChem
PDB ligand ID
7KA
0 references
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