General Information of the Compound
Compound ID
CP0124865
Compound Name
4-(6,7-dimethoxyquinazolin-4-ylamino)phenol
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Synonyms
-Hydroxyphenyl)amino-6,7-dimethoxyquinazoline
1J8Q49TR3I
202475-60-3
4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol
4-(6,7-dimethoxyquinazolin-4-ylamino)phenol
4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol
4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
AC1L1GQ8
AOB1974
BCP14722
CHEMBL405130
CTK7A0027
EX-A2590
HOZUXBLMYUPGPZ-UHFFFAOYSA-N
JANEX-1
Janex 1
Lopac0_001238
MolPort-000-577-684
SCHEMBL29295
UNII-1J8Q49TR3I
WHI-P-131
WHI-P131
WHI-P131(Janex 1)
ZINC9851
jak3 inhibitor i
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Structure
Formula
C16H15N3O3
Molecular Weight
297.314
Canonical SMILES
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
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InChI
InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)
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InChIKey
HOZUXBLMYUPGPZ-UHFFFAOYSA-N
CAS
202475-60-3
Physicochemical Property
logP
3.0962
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
76.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3794
SID: 14825092
ChEMBL ID
CHEMBL405130
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( WHI-P131 )
Drug Name WHI-P131