General Information of the Compound
Compound ID
CP0903118
Compound Name
N-(4-carbamimidoylphenyl)-2-hydroxybenzamide formate
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Structure
Formula
C15H15N3O4
Molecular Weight
301.302
Canonical SMILES
N=C(N)c1ccc(NC(=O)c2ccccc2O)cc1.O=CO
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InChI
InChI=1S/C14H13N3O2.CH2O2/c15-13(16)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)18;2-1-3/h1-8,18H,(H3,15,16)(H,17,19);1H,(H,2,3)
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InChIKey
VDJGLXSVYOVCDD-UHFFFAOYSA-N
Physicochemical Property
logP
1.62937
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
136.5
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 155539807
ChEMBL ID
CHEMBL4515268
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 = 12589.25 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 = 6309.57 nM
   TI
   LI
   LO
   TS