General Information of the Compound
Compound ID
CP0558692
Compound Name
2,3-dihydroindol-1-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
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Structure
Formula
C15H16N2O2
Molecular Weight
256.305
Canonical SMILES
CC(C)c1cc(no1)C(=O)N1CCc2ccccc12
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InChI
InChI=1S/C15H16N2O2/c1-10(2)14-9-12(16-19-14)15(18)17-8-7-11-5-3-4-6-13(11)17/h3-6,9-10H,7-8H2,1-2H3
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InChIKey
WBLCJBFAFRNGEM-UHFFFAOYSA-N
Physicochemical Property
logP
3.0009
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
46.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 110856964
ChEMBL ID
CHEMBL4081345
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 = 720 nM
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