General Information of the Compound
Compound ID
CP0522942
Compound Name
N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
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Structure
Formula
C19H23N3O
Molecular Weight
309.413
Canonical SMILES
CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccccc1N
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InChI
InChI=1S/C19H23N3O/c1-22-12-10-15(11-13-22)14-6-8-16(9-7-14)19(23)21-18-5-3-2-4-17(18)20/h2-9,15H,10-13,20H2,1H3,(H,21,23)
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InChIKey
SKBWGAWCOQBGQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3303
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
58.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 25023852
ChEMBL ID
CHEMBL254360
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 138.04 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 831.76 nM
   TI
   LI
   LO
   TS