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CHEMBL609043
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
353.8493
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₀ClN₅
0 references
canonical SMILES
C1CN(CCN1CC2=CN(N=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
0 references
Identifiers
InChI
InChI=1S/C19H20ClN5/c20-16-6-8-19(9-7-16)25-15-17(21-22-25)14-23-10-12-24(13-11-23)18-4-2-1-3-5-18/h1-9,15H,10-14H2
0 references
InChIKey
WFCBAWWBMPFNRM-UHFFFAOYSA-N
0 references
CAS Registry Number
591774-48-0
0 references
PubChem CID
10338184
1 reference
matched by identifier from
InChIKey
InChIKey
WFCBAWWBMPFNRM-UHFFFAOYSA-N
UniChem compound ID
338575
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20438381
1 reference
matched by identifier from
InChIKey
InChIKey
WFCBAWWBMPFNRM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20389203
0 references
Human Metabolome Database ID
HMDB0250044
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WFCBAWWBMPFNRM-UHFFFAOYSA-N
Probes And Drugs ID
PD089335
0 references
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