General Information of the Compound
Compound ID
CP0497659
Compound Name
(2S)-2-amino-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide
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Structure
Formula
C18H16N4O2
Molecular Weight
320.352
Canonical SMILES
N[C@H](C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccc1
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InChI
InChI=1S/C18H16N4O2/c19-16(13-4-2-1-3-5-13)18(24)22-15-10-14(11-21-17(15)23)12-6-8-20-9-7-12/h1-11,16H,19H2,(H,21,23)(H,22,24)/t16-/m0/s1
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InChIKey
LHYBJJWRBSBLNE-INIZCTEOSA-N
Physicochemical Property
logP
2.0754
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
100.87
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 70682463
SID: 163469482
ChEMBL ID
CHEMBL2069484
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: PT06102, Probable G-protein coupled receptor 142
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 33000 nM
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