General Information of the Compound
Compound ID
CP0299084
Compound Name
N,N-dimethyl-2-(7-phenylheptanoyl)-1,3-oxazole-4-carboxamide
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Structure
Formula
C19H24N2O3
Molecular Weight
328.412
Canonical SMILES
CN(C)C(=O)c1coc(n1)C(=O)CCCCCCc1ccccc1
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InChI
InChI=1S/C19H24N2O3/c1-21(2)19(23)16-14-24-18(20-16)17(22)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,14H,3-4,6,9-10,13H2,1-2H3
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InChIKey
GKQXYZDHXNBGLV-UHFFFAOYSA-N
Physicochemical Property
logP
3.7523
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
63.41
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 44554786
SID: 87238169
ChEMBL ID
CHEMBL462589
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: PT04933, Diacylglycerol lipase-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 3388.44 nM
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