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cadisegliatin
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
Cadisegliatin.svg
995 × 400; 31 KB
0 references
mass
455.191248536
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₃N₃O₄S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCOC1CCC(N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCCCC2)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H33N3O4S2/c1-2-12-28-17-10-8-16(9-11-17)24(15-6-4-3-5-7-15)21(27)23-20-22-13-19(30-20)29-14-18(25)26/h13,15-17H,2-12,14H2,1H3,(H,25,26)(H,22,23,27)
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InChIKey
HPGJSAAUJGAMLV-UHFFFAOYSA-N
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CAS Registry Number
859525-02-3
0 references
PubChem CID
54673176
1 reference
matched by identifier from
InChIKey
InChIKey
HPGJSAAUJGAMLV-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL999941
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HPGJSAAUJGAMLV-UHFFFAOYSA-N
UNII
98S8SH8UNF
0 references
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Wikipedia
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enwiki
Cadisegliatin
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