General Information of the Compound
Compound ID
CP0932574
Compound Name
N-(4-(aminomethyl)phenyl)-2-hydroxy-4-methoxybenzamide
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Structure
Formula
C15H16N2O3
Molecular Weight
272.304
Canonical SMILES
COc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
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InChI
InChI=1S/C15H16N2O3/c1-20-12-6-7-13(14(18)8-12)15(19)17-11-4-2-10(9-16)3-5-11/h2-8,18H,9,16H2,1H3,(H,17,19)
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InChIKey
VHGJSQMLLKCCRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.1118
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
84.58
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 24692287
ChEMBL ID
CHEMBL2011755
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: PT02196, Plasma kallikrein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 20600 nM
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