General Information of the Compound
Compound ID
CP0446920
Compound Name
N-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
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Structure
Formula
C13H13ClN2O2
Molecular Weight
264.712
Canonical SMILES
CC(C)c1cc(no1)C(=O)Nc1ccc(Cl)cc1
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InChI
InChI=1S/C13H13ClN2O2/c1-8(2)12-7-11(16-18-12)13(17)15-10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,15,17)
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InChIKey
ZQRRVNZLRRZHSQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.7037
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 53016945
ChEMBL ID
CHEMBL4081762
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: PT04513, Survival motor neuron protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2800 nM
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