General Information of the Compound
Compound ID
CP0472299
Compound Name
CHEMBL4633783
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Formula
C24H28N2O5
Molecular Weight
424.497
Canonical SMILES
CCCCc1nc(=O)c(Cc2ccc(OC)cc2)c(O)n1-c1c(OC)cccc1OC
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InChI
InChI=1S/C24H28N2O5/c1-5-6-10-21-25-23(27)18(15-16-11-13-17(29-2)14-12-16)24(28)26(21)22-19(30-3)8-7-9-20(22)31-4/h7-9,11-14,28H,5-6,10,15H2,1-4H3
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InChIKey
COQJEZJXUKTIIN-UHFFFAOYSA-N
Physicochemical Property
logP
3.8973
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
82.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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
CHEMBL4633783
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: PT05078, Apelin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 13 nM
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