General Information of the Compound
Compound ID
CP0316928
Compound Name
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
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Structure
Formula
C17H21N3O3
Molecular Weight
315.373
Canonical SMILES
O=C(NCCCN1CCOCC1)c1cc(on1)-c1ccccc1
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InChI
InChI=1S/C17H21N3O3/c21-17(18-7-4-8-20-9-11-22-12-10-20)15-13-16(23-19-15)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,18,21)
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InChIKey
YUGWEICZKZBDGT-UHFFFAOYSA-N
Physicochemical Property
logP
1.7937
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
67.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 2217157
ChEMBL ID
CHEMBL1505546
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  3
1
EC50 = 20000 nM
   TI
   LI
   LO
   TS
2
EC50 = 23900 nM
   TI
   LI
   LO
   TS
3
EC50 = 28000 nM
   TI
   LI
   LO
   TS