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(Q82148422)
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AC1LTVIR
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
458.01617663999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₁₅ClN₂O₄S₂
0 references
canonical SMILES
O=C(O)CCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=C\4/C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl
0 references
Identifiers
InChI
InChI=1S/C21H15ClN2O4S2/c22-14-7-3-1-5-12(14)11-24-15-8-4-2-6-13(15)17(19(24)27)18-20(28)23(21(29)30-18)10-9-16(25)26/h1-8H,9-11H2,(H,25,26)/b18-17+
0 references
InChIKey
CYMLFEGTSNSAJQ-ISLYRVAYSA-N
0 references
CAS Registry Number
6140-41-6
0 references
PubChem CID
1570081
1 reference
matched by identifier from
InChIKey
InChIKey
CYMLFEGTSNSAJQ-ISLYRVAYSA-N
UniChem compound ID
686107
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40364451
1 reference
matched by identifier from
InChIKey
InChIKey
CYMLFEGTSNSAJQ-ISLYRVAYSA-N
DSSTOX compound identifier
DTXCID30315497
0 references
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