General Information of the Compound
Compound ID
CP0548214
Compound Name
4-[3-(dimethylamino)propoxy]-N-[2-(2,6-dimethylphenoxy)phenyl]benzamide
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Formula
C26H30N2O3
Molecular Weight
418.537
Canonical SMILES
CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1c(C)cccc1C
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InChI
InChI=1S/C26H30N2O3/c1-19-9-7-10-20(2)25(19)31-24-12-6-5-11-23(24)27-26(29)21-13-15-22(16-14-21)30-18-8-17-28(3)4/h5-7,9-16H,8,17-18H2,1-4H3,(H,27,29)
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InChIKey
RLLRJXUBOWTNGF-UHFFFAOYSA-N
Physicochemical Property
logP
5.67854
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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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ChEMBL ID
CHEMBL4764424
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: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 62000 nM
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Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 55000 nM
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