General Information of the Compound
Compound ID
CP0569755
Compound Name
N-propyl-1-(4-pyridin-4-ylphenyl)cyclobutane-1-carboxamide
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Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
CCCNC(=O)C1(CCC1)c1ccc(cc1)-c1ccncc1
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InChI
InChI=1S/C19H22N2O/c1-2-12-21-18(22)19(10-3-11-19)17-6-4-15(5-7-17)16-8-13-20-14-9-16/h4-9,13-14H,2-3,10-12H2,1H3,(H,21,22)
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InChIKey
UVJVCYAYXTVDLY-UHFFFAOYSA-N
Physicochemical Property
logP
3.6965
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 168288351
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 > 10000 nM
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