General Information of the Compound
Compound ID
CP0556603
Compound Name
US8975247, EBP882
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Structure
Formula
C24H28ClN3
Molecular Weight
393.962
Canonical SMILES
Cc1cc2nc(CC3CC4CCC(C3)N4)n(Cc3ccc(Cl)cc3)c2cc1C
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InChI
InChI=1S/C24H28ClN3/c1-15-9-22-23(10-16(15)2)28(14-17-3-5-19(25)6-4-17)24(27-22)13-18-11-20-7-8-21(12-18)26-20/h3-6,9-10,18,20-21,26H,7-8,11-14H2,1-2H3
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InChIKey
RDLMLSUNDFYREW-UHFFFAOYSA-N
Physicochemical Property
logP
5.42794
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
29.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 70852764
ChEMBL ID
CHEMBL3696121
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 = 4300 nM
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