General Information of the Compound
Compound ID
CP0252871
Compound Name
N-(4-carbamimidoylphenyl)-2-hydroxy-3-methylbenzamide
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Structure
Formula
C15H15N3O2
Molecular Weight
269.304
Canonical SMILES
Cc1cccc(C(=O)Nc2ccc(cc2)C(N)=N)c1O
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InChI
InChI=1S/C15H15N3O2/c1-9-3-2-4-12(13(9)19)15(20)18-11-7-5-10(6-8-11)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20)
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InChIKey
LCZHEVMEFIWLIR-UHFFFAOYSA-N
Physicochemical Property
logP
2.23699
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
99.2
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
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: 44303806
ChEMBL ID
CHEMBL412448
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: PT01859, Kallikrein-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3162.28 nM
   TI
   LI
   LO
   TS
Protein ID: PT02568, Kallikrein-5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7943.28 nM
   TI
   LI
   LO
   TS