General Information of the Compound
Compound ID
CP0428345
Compound Name
N-[(1-benzyltetrazol-5-yl)methyl]-2,2-diphenylethanamine
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Structure
Formula
C23H23N5
Molecular Weight
369.472
Canonical SMILES
C(NCc1nnnn1Cc1ccccc1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H23N5/c1-4-10-19(11-5-1)18-28-23(25-26-27-28)17-24-16-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2
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InChIKey
GHGXIVADTDLKHM-UHFFFAOYSA-N
Physicochemical Property
logP
3.6431
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 57390313
ChEMBL ID
CHEMBL1917036
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: PT03076, Sodium- and chloride-dependent GABA transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 44668.36 nM
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