General Information of the Compound
Compound ID
CP0376866
Compound Name
4-fluoro-3-[[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]amino]-2-methylphenol
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Structure
Formula
C19H21FN4O3
Molecular Weight
372.4
Canonical SMILES
CNCCOc1cc2ncnc(Nc3c(C)c(O)ccc3F)c2cc1OC
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InChI
InChI=1S/C19H21FN4O3/c1-11-15(25)5-4-13(20)18(11)24-19-12-8-16(26-3)17(27-7-6-21-2)9-14(12)22-10-23-19/h4-5,8-10,21,25H,6-7H2,1-3H3,(H,22,23,24)
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InChIKey
LXINGPYRHFOCIB-UHFFFAOYSA-N
Physicochemical Property
logP
3.13332
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
88.53
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 118111995
ChEMBL ID
CHEMBL3800408
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 10000 nM
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