General Information of the Compound
Compound ID
CP0464797
Compound Name
1-(3-chloro-4-fluorophenyl)-2-(6,7-dimethoxyquinazolin-4-yl)hydrazine
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Structure
Formula
C16H14ClFN4O2
Molecular Weight
348.765
Canonical SMILES
COc1cc2ncnc(NNc3ccc(F)c(Cl)c3)c2cc1OC
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InChI
InChI=1S/C16H14ClFN4O2/c1-23-14-6-10-13(7-15(14)24-2)19-8-20-16(10)22-21-9-3-4-12(18)11(17)5-9/h3-8,21H,1-2H3,(H,19,20,22)
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InChIKey
DRGJAJGWXGZEPT-UHFFFAOYSA-N
Physicochemical Property
logP
3.8785
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
68.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 44324654
ChEMBL ID
CHEMBL422066
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 430 nM
   TI
   LI
   LO
   TS
CL000220 KB Homo sapiens (Human)  1
1
IC50 = 780 nM
   TI
   LI
   LO
   TS