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toceranib
(Q76304061)
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From Wikidata
chemical compound used in the treatment of tumors
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
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Description
Also known as
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English
toceranib
chemical compound used in the treatment of tumors
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
has use
medication
0 references
chemical structure
Toceranib.svg
818 × 542; 3 KB
0 references
chemical formula
C₂₂H₂₅FN₄O₂
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canonical SMILES
CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)C=C3C4=C(C=CC(=C4)F)NC3=O
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isomeric SMILES
CC1=C(NC(=C1C(=O)NCCN2CCCC2)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O
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mass
396.19615426
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
Commons category
Toceranib
0 references
Identifiers
InChI
InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
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InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
0 references
CAS Registry Number
356068-94-5
1 reference
InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=356068-94-5
PubChem CID
5329106
1 reference
matched by identifier from
InChIKey
InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
SureChEMBL ID
29354429
1 reference
matched by identifier from
InChIKey
InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
2116670
1 reference
matched by identifier from
InChIKey
InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
UniChem compound ID
51246
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50189076
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
DSSTOX compound identifier
DTXCID80111567
0 references
UNII
59L7Y0530C
1 reference
matched by identifier from
InChIKey
InChIKey
SRSGVKWWVXWSJT-ATVHPVEESA-N
Probes And Drugs ID
PD012957
0 references
PDB ligand ID
BWC
0 references
Freebase ID
/m/064pn78
0 references
Microsoft Academic ID
2780057523
0 references
Sitelinks
Wikipedia
(5 entries)
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enwiki
Toceranib
fiwiki
Toseranibi
shwiki
Toceranib
srwiki
Toceranib
viwiki
Toceranib
Wikibooks
(0 entries)
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Wikiquote
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Wikisource
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Wikiversity
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Wiktionary
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Multilingual sites
(1 entry)
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commonswiki
Category:Toceranib
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