General Information of the Compound
Compound ID
CP0422337
Compound Name
1-phenylethyl N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)carbamate
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Structure
Formula
C19H18N2O3
Molecular Weight
322.364
Canonical SMILES
CC(OC(=O)Nc1c(C)noc1-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C19H18N2O3/c1-13-17(18(24-21-13)16-11-7-4-8-12-16)20-19(22)23-14(2)15-9-5-3-6-10-15/h3-12,14H,1-2H3,(H,20,22)
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InChIKey
DPJOKUMLVQLVEQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.95972
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
64.36
Hydrogen Bond Donor Count
1
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: 44454369
ChEMBL ID
CHEMBL404575
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: PT03925, Lysophosphatidic acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
Protein ID: PT04536, Lysophosphatidic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02824, Lysophosphatidic acid receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000466 McA-RH7777 Rattus norvegicus (Rat)  1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS