General Information of the Compound
Compound ID
CP0526089
Compound Name
1-(3-Chloro-benzyloxymethyl)-2,2-diphenyl-ethylamine
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Structure
Formula
C22H22ClNO
Molecular Weight
351.877
Canonical SMILES
NC(COCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C22H22ClNO/c23-20-13-7-8-17(14-20)15-25-16-21(24)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21-22H,15-16,24H2
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InChIKey
UJJFHEWMBRIBGS-UHFFFAOYSA-N
Physicochemical Property
logP
5.016
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 44299310
ChEMBL ID
CHEMBL264376
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 75 nM
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