General Information of the Compound
Compound ID
CP0193061
Compound Name
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-methyl-2-piperidineacetamide
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Structure
Formula
C15H20N6O
Molecular Weight
300.366
Canonical SMILES
CNC(=O)CC1CCCCN1c1ccnc(n1)-n1ccnc1
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InChI
InChI=1S/C15H20N6O/c1-16-14(22)10-12-4-2-3-8-21(12)13-5-6-18-15(19-13)20-9-7-17-11-20/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,16,22)
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InChIKey
GRAWOJQOGVVJGB-UHFFFAOYSA-N
Physicochemical Property
logP
1.1573
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
75.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 16116298
SID: 24763412
ChEMBL ID
CHEMBL220898
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: PT01472, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000438 A-172 Homo sapiens (Human)  1
1
IC50 > 100 nM
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