General Information of the Compound
Compound ID
CP0530967
Compound Name
3-(2,5-dimethylphenyl)-N-(2,6-dimethylphenyl)-4-methylbenzamide
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Structure
Formula
C24H25NO
Molecular Weight
343.47
Canonical SMILES
Cc1ccc(C)c(c1)-c1cc(ccc1C)C(=O)Nc1c(C)cccc1C
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InChI
InChI=1S/C24H25NO/c1-15-9-10-16(2)21(13-15)22-14-20(12-11-17(22)3)24(26)25-23-18(4)7-6-8-19(23)5/h6-14H,1-5H3,(H,25,26)
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InChIKey
OZNKGRJSGJOGCX-UHFFFAOYSA-N
Physicochemical Property
logP
6.148
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
26

"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: 56672438
ChEMBL ID
CHEMBL1824260
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: PT01779, Sphingosine 1-phosphate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 2400 nM
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