General Information of the Compound
Compound ID
CP0422917
Compound Name
3-(4-ethoxyphenyl)aniline
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Structure
Formula
C14H15NO
Molecular Weight
213.28
Canonical SMILES
CCOc1ccc(cc1)-c1cccc(N)c1
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InChI
InChI=1S/C14H15NO/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2,15H2,1H3
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InChIKey
IPXLDVONSAAOGP-UHFFFAOYSA-N
Physicochemical Property
logP
3.3345
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 28911173
ChEMBL ID
CHEMBL4784064
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: PT04640, Patatin-like phospholipase domain-containing protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 100000 nM
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