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ChEBI
> Main
CHEBI:91185 - ZM 323881
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ChEBI Name
ZM 323881
ChEBI ID
CHEBI:91185
Definition
A member of the class of quinazolines carrying 2-fluoro-4-methyl-5-hydroxyanilino and benzyloxy substituents at positions 4 and 7 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C22H18FN3O2
Net Charge
0
Average Mass
375.396
Monoisotopic Mass
375.13830
InChI
InChI=1S/C22H18FN3O2/c1-
14-
9-
18(23)
20(11-
21(14)
27)
26-
22-
17-
8-
7-
16(10-
19(17)
24-
13-
25-
22)
28-
12-
15-
5-
3-
2-
4-
6-
15/h2-
11,13,27H,12H2,1H3,(H,24,25,26)
InChIKey
NVBNDZZLJRYRPD-UHFFFAOYSA-N
SMILES
C1(O)=C(C=C(C(=C1)NC=2N=CN=C3C2C=CC(=C3)OCC4=CC=CC=C4)F)C
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
vascular endothelial growth factor receptor antagonist
An antagonist at the vascular endothelial growth factor receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ZM 323881 (
CHEBI:91185
)
has role
vascular endothelial growth factor receptor antagonist (
CHEBI:65207
)
ZM 323881 (
CHEBI:91185
)
is a
aromatic ether (
CHEBI:35618
)
ZM 323881 (
CHEBI:91185
)
is a
benzyl ether (
CHEBI:59859
)
ZM 323881 (
CHEBI:91185
)
is a
fluorophenol (
CHEBI:142486
)
ZM 323881 (
CHEBI:91185
)
is a
halophenol (
CHEBI:38856
)
ZM 323881 (
CHEBI:91185
)
is a
monofluorobenzenes (
CHEBI:83575
)
ZM 323881 (
CHEBI:91185
)
is a
organic cation (
CHEBI:25697
)
ZM 323881 (
CHEBI:91185
)
is a
quinazolines (
CHEBI:38530
)
ZM 323881 (
CHEBI:91185
)
is a
secondary amino compound (
CHEBI:50995
)
ZM 323881 (
CHEBI:91185
)
is a
substituted aniline (
CHEBI:48975
)
ZM 323881 (
CHEBI:91185
)
is conjugate base of
ZM 323881(1+) (
CHEBI:91187
)
Incoming
ZM 323881(1+) (
CHEBI:91187
)
is conjugate acid of
ZM 323881 (
CHEBI:91185
)
IUPAC Name
5-{[7-(benzyloxy)quinazolin-4-yl]amino}-4-fluoro-2-methylphenol
Synonyms
Sources
ZM-323881
ChEBI
ZM323881
ChEBI
Manual Xref
Database
LSM-3513
LINCS
View more database links
Registry Number
Type
Source
13137893
Reaxys Registry Number
Reaxys
Last Modified
01 November 2018