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(Q72447720)
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English
BMS 777607
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
NA
0 references
canonical SMILES
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc[nH]c(=N)c2Cl)c(F)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
0 references
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1196681-44-3
0 references
PubChem CID
24794418
1 reference
matched by identifier from
InChIKey
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
ChEBI ID
91409
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
SureChEMBL ID
SCHEMBL2588311
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50145278
1 reference
matched by identifier from
InChIKey
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
DrugBank ID
DB12064
1 reference
matched by identifier from
InChIKey
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
UNII
A3MMS6HDO1
1 reference
matched by identifier from
InChIKey
InChIKey
VNBRGSXVFBYQNN-UHFFFAOYSA-N
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