General Information of the Compound
Compound ID
CP0504880
Compound Name
(R)-N-((1-methyl-4-phenyl-1H-imidazol-2-yl)methyl)-1-phenylethanamine
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Structure
Formula
C18H19N3
Molecular Weight
277.371
Canonical SMILES
C[C@@H](NCc1nc(c[nH]1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C18H19N3/c1-14(15-8-4-2-5-9-15)19-13-18-20-12-17(21-18)16-10-6-3-7-11-16/h2-12,14,19H,13H2,1H3,(H,20,21)/t14-/m1/s1
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InChIKey
VVQQKZGLWTWCLF-CQSZACIVSA-N
Physicochemical Property
logP
3.9275
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44542927
SID: 87224646
ChEMBL ID
CHEMBL568946
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: PT01916, Extracellular calcium-sensing receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 5000 nM
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   LI
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