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(Q72443796)
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English
ARQ 197
chemical compound
(3R,4R)-3-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
369.14772684800005
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
tivantinib
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₁₉N₃O₂
0 references
canonical SMILES
O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)C1c1c[nH]c2ccccc12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1
0 references
InChIKey
UCEQXRCJXIVODC-PMACEKPBSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1000873-98-2
0 references
ChEBI ID
91398
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1
SureChEMBL ID
SCHEMBL44944
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UCEQXRCJXIVODC-PMACEKPBSA-N
DSSTox substance ID
DTXSID60920316
1 reference
matched by identifier from
InChIKey
InChIKey
UCEQXRCJXIVODC-PMACEKPBSA-N
DrugBank ID
DB12200
1 reference
matched by identifier from
InChIKey
InChIKey
UCEQXRCJXIVODC-PMACEKPBSA-N
UNII
PJ4H73IL17
1 reference
matched by identifier from
InChIKey
InChIKey
UCEQXRCJXIVODC-PMACEKPBSA-N
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