General Information of the Compound
Compound ID
CP0475521
Compound Name
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
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Structure
Formula
C24H32N2O5
Molecular Weight
428.529
Canonical SMILES
CCC1N(CCc2cc(OC)c(OC)cc12)C(=O)NCCc1ccc(OC)c(OC)c1
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InChI
InChI=1S/C24H32N2O5/c1-6-19-18-15-23(31-5)22(30-4)14-17(18)10-12-26(19)24(27)25-11-9-16-7-8-20(28-2)21(13-16)29-3/h7-8,13-15,19H,6,9-12H2,1-5H3,(H,25,27)
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InChIKey
REVKRIOAKWVOFJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9825
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
69.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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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PubChem ID
CID: 155549367
ChEMBL ID
CHEMBL4549097
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 50000 nM
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