General Information of the Compound
Compound ID
CP0535702
Compound Name
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine
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Structure
Formula
C11H15N5O
Molecular Weight
233.275
Canonical SMILES
CCN(Cc1cnc[nH]1)c1nccc(OC)n1
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InChI
InChI=1S/C11H15N5O/c1-3-16(7-9-6-12-8-14-9)11-13-5-4-10(15-11)17-2/h4-6,8H,3,7H2,1-2H3,(H,12,14)
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InChIKey
KFAVIMMGXZFASQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.2348
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
66.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 59728070
SID: 152144778
ChEMBL ID
CHEMBL2206390
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: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 84 nM
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