General Information of the Compound
Compound ID
CP0132915
Compound Name
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]acetamide
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Structure
Formula
C19H22N6O3
Molecular Weight
382.424
Canonical SMILES
CC(=O)Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
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InChI
InChI=1S/C19H22N6O3/c1-11(26)20-16-9-14(23-24-16)12-5-7-13(8-6-12)21-18(27)22-17-10-15(28-25-17)19(2,3)4/h5-10H,1-4H3,(H2,20,23,24,26)(H2,21,22,25,27)
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InChIKey
CQPCPFKBRUSIJG-UHFFFAOYSA-N
Physicochemical Property
logP
3.9646
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
124.94
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 127045225
ChEMBL ID
CHEMBL3808619
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 = 24 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21 nM