General Information of the Compound
Compound ID
CP0500194
Compound Name
US8975247, EBP143
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Structure
Formula
C15H13ClN2O
Molecular Weight
272.735
Canonical SMILES
OCc1nc2ccccc2n1Cc1ccc(Cl)cc1
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InChI
InChI=1S/C15H13ClN2O/c16-12-7-5-11(6-8-12)9-18-14-4-2-1-3-13(14)17-15(18)10-19/h1-8,19H,9-10H2
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InChIKey
VUZVSFJBGRTRQC-UHFFFAOYSA-N
CAS
5652-60-8
Physicochemical Property
logP
3.2303
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
38.05
Hydrogen Bond Donor Count
1
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: 743896
ChEMBL ID
CHEMBL1872352
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS