General Information of the Compound
Compound ID
CP0870566
Compound Name
N-(4-(aminomethyl)phenyl)-3-chloro-2-hydroxybenzamide
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Structure
Formula
C14H13ClN2O2
Molecular Weight
276.723
Canonical SMILES
NCc1ccc(NC(=O)c2cccc(Cl)c2O)cc1
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InChI
InChI=1S/C14H13ClN2O2/c15-12-3-1-2-11(13(12)18)14(19)17-10-6-4-9(8-16)5-7-10/h1-7,18H,8,16H2,(H,17,19)
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InChIKey
MUNRTFZOAYTRRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.7566
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
75.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 70681010
ChEMBL ID
CHEMBL2011753
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 = 13500 nM
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