General Information of the Compound
Compound ID
CP0383672
Compound Name
(2S)-2-amino-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
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Structure
Formula
C19H18N4O2
Molecular Weight
334.379
Canonical SMILES
N[C@@H](Cc1ccccc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
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InChI
InChI=1S/C19H18N4O2/c20-16(10-13-4-2-1-3-5-13)18(24)23-17-11-15(12-22-19(17)25)14-6-8-21-9-7-14/h1-9,11-12,16H,10,20H2,(H,22,25)(H,23,24)/t16-/m0/s1
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InChIKey
STGSGLZBXACHOX-INIZCTEOSA-N
Physicochemical Property
logP
1.9454
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
100.87
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 67497640
ChEMBL ID
CHEMBL2069482
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 = 4800 nM
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