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CHEMBL1790733
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
319.16443953199996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₁N₅O₃
0 references
canonical SMILES
OCC1OC(n2cnc3c(NC4CCCC4)ncnc32)CC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
0 references
Identifiers
InChI
InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1
0 references
InChIKey
VBGZTYNASPQLSI-QJPTWQEYSA-N
0 references
CAS Registry Number
170711-45-2
0 references
PubChem CID
10041628
0 references
UniChem compound ID
1166742
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30434677
1 reference
matched by identifier from
InChIKey
InChIKey
VBGZTYNASPQLSI-QJPTWQEYSA-N
DSSTOX compound identifier
DTXCID20385503
0 references
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