General Information of the Compound
Compound ID
CP0283468
Compound Name
1-[4-(5-amino-1,2-oxazol-3-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
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Structure
Formula
C17H19N5O3
Molecular Weight
341.371
Canonical SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(N)on2)no1
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InChI
InChI=1S/C17H19N5O3/c1-17(2,3)13-9-15(22-24-13)20-16(23)19-11-6-4-10(5-7-11)12-8-14(18)25-21-12/h4-9H,18H2,1-3H3,(H2,19,20,22,23)
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InChIKey
HNNZJWUBULIGIG-UHFFFAOYSA-N
Physicochemical Property
logP
3.8533
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
119.21
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 127045335
ChEMBL ID
CHEMBL3809077
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 2400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1900 nM