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denifanstat
chemical compound
TVB-2640
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical structure
Denifanstat.svg
860 × 495; 28 KB
0 references
mass
439.23721054800006
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₉N₅O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n[nH]1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)
0 references
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
0 references
CAS Registry Number
1399177-37-7
0 references
PubChem CID
66548316
1 reference
matched by identifier from
InChIKey
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL12488853
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
DrugBank ID
DB17576
1 reference
matched by identifier from
InChIKey
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
UNII
4GF95B2LZA
1 reference
matched by identifier from
InChIKey
InChIKey
BBGOSBDSLYHMRA-UHFFFAOYSA-N
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