General Information of the Compound
Compound ID
CP0564260
Compound Name
CHEMBL4209951
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Formula
C24H37NO3
Molecular Weight
387.564
Canonical SMILES
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@]3(CCCCO3)CC2)cc1
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InChI
InChI=1S/C24H37NO3/c1-25(2)23(26)21-9-11-22(12-10-21)27-18-6-3-4-8-20-13-16-24(17-14-20)15-5-7-19-28-24/h9-12,20H,3-8,13-19H2,1-2H3/t20-,24+
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InChIKey
SXCHNHMSEYRBGH-RZJSWYKGSA-N
Physicochemical Property
logP
5.4571
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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
CHEMBL4209951
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 36 nM
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