General Information of the Compound
Compound ID
CP0467961
Compound Name
5-(4-phenylbenzyl)oxazole-4-carboxamide, 6d
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Structure
Formula
C27H25N3O3
Molecular Weight
439.515
Canonical SMILES
CC(NC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1
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InChI
InChI=1S/C27H25N3O3/c1-18(21-7-4-3-5-8-21)29-27(32)26-25(33-17-28-26)15-20-11-13-22(14-12-20)23-9-6-10-24(16-23)30-19(2)31/h3-14,16-18H,15H2,1-2H3,(H,29,32)(H,30,31)
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InChIKey
HLDSMJBDGJWNMP-UHFFFAOYSA-N
Physicochemical Property
logP
5.3818
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
84.23
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 24901439
ChEMBL ID
CHEMBL232156
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: PT02279, Prostacyclin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000082 HEL Homo sapiens (Human)  1
1
IC50 = 278 nM
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