General Information of the Compound
Compound ID
CP0383048
Compound Name
N-[1-(3,5-dimethylbenzoyl)cyclohexyl]-3-methoxy-2-methylbenzamide
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Structure
Formula
C24H29NO3
Molecular Weight
379.5
Canonical SMILES
COc1cccc(C(=O)NC2(CCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
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InChI
InChI=1S/C24H29NO3/c1-16-13-17(2)15-19(14-16)22(26)24(11-6-5-7-12-24)25-23(27)20-9-8-10-21(28-4)18(20)3/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,27)
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InChIKey
SUAHMLFOJLHFHS-UHFFFAOYSA-N
Physicochemical Property
logP
4.93606
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
55.4
Hydrogen Bond Donor Count
1
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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PubChem ID
CID: 44299099
ChEMBL ID
CHEMBL55869
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: PT00618, Ecdysone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1110 nM
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Protein ID: PT06098, Ecdysone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1410 nM
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