General Information of the Compound
Compound ID
CP0493617
Compound Name
N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
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Structure
Formula
C12H16N4
Molecular Weight
216.288
Canonical SMILES
CC(C)N(Cc1cnc[nH]1)c1ccccn1
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InChI
InChI=1S/C12H16N4/c1-10(2)16(8-11-7-13-9-15-11)12-5-3-4-6-14-12/h3-7,9-10H,8H2,1-2H3,(H,13,15)
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InChIKey
BKEVFDHIHCVQBH-UHFFFAOYSA-N
Physicochemical Property
logP
2.2197
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 59728194
SID: 152144775
ChEMBL ID
CHEMBL2206387
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 = 195 nM
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