General Information of the Compound
Compound ID
CP0558547
Compound Name
4-[3-(dimethylamino)propoxy]-N-(2-phenoxyphenyl)benzamide
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Formula
C24H26N2O3
Molecular Weight
390.483
Canonical SMILES
CN(C)CCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1ccccc1
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InChI
InChI=1S/C24H26N2O3/c1-26(2)17-8-18-28-20-15-13-19(14-16-20)24(27)25-22-11-6-7-12-23(22)29-21-9-4-3-5-10-21/h3-7,9-16H,8,17-18H2,1-2H3,(H,25,27)
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InChIKey
XPIHYAVBZFQJFZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.0617
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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
CHEMBL4741422
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 = 49000 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 = 19000 nM
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