General Information of the Compound
Compound ID
CP0576016
Compound Name
US8975247, EBP101
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Structure
Formula
C24H21ClN2
Molecular Weight
372.899
Canonical SMILES
Cc1cc2nc(\C=C\c3ccccc3)n(Cc3ccc(Cl)cc3)c2cc1C
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InChI
InChI=1S/C24H21ClN2/c1-17-14-22-23(15-18(17)2)27(16-20-8-11-21(25)12-9-20)24(26-22)13-10-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3/b13-10+
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InChIKey
DFNPOFPUTAASIC-JLHYYAGUSA-N
Physicochemical Property
logP
6.52524
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 5919832
ChEMBL ID
CHEMBL3699573
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 = 4000 nM
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