General Information of the Compound
Compound ID
CP0393586
Compound Name
N-[(1-benzyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
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Structure
Formula
C22H21N5
Molecular Weight
355.445
Canonical SMILES
C(NC(c1ccccc1)c1ccccc1)c1nnnn1Cc1ccccc1
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InChI
InChI=1S/C22H21N5/c1-4-10-18(11-5-1)17-27-21(24-25-26-27)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2
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InChIKey
FFDSIYYHOIPKTL-UHFFFAOYSA-N
Physicochemical Property
logP
3.6006
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 41884766
ChEMBL ID
CHEMBL1917033
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 = 16218.1 nM
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