General Information of the Compound
Compound ID
CP0405166
Compound Name
4-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-pyridine-2,6-diamine
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Structure
Formula
C19H17Cl2N3O
Molecular Weight
374.271
Canonical SMILES
CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
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InChI
InChI=1S/C19H17Cl2N3O/c1-2-25-17-8-5-14(21)11-16(17)12-9-18(22)24-19(10-12)23-15-6-3-13(20)4-7-15/h3-11H,2H2,1H3,(H3,22,23,24)
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InChIKey
RUEHADWKPASNKW-UHFFFAOYSA-N
Physicochemical Property
logP
5.7799
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
60.17
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 11326288
SID: 16416310
ChEMBL ID
CHEMBL194604
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: PT06121, 1-acyl-sn-glycerol-3-phosphate acyltransferase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 50 nM
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