General Information of the Compound
Compound ID
CP0028136
Compound Name
2-amino-3-phenyl-5-(pyridin-4-yl)benzamide
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Structure
Formula
C18H15N3O
Molecular Weight
289.338
Canonical SMILES
NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
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InChI
InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)
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InChIKey
KDDJEKWJEFRYAO-UHFFFAOYSA-N
Physicochemical Property
logP
3.0967
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 16048415
SID: 24434593
ChEMBL ID
CHEMBL230911
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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 57990 nM
   TI
   LI
   LO
   TS
2
Ki = 5520 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11430 nM
2 IC50 = 57990 nM
3 Ki = 5520 nM