General Information of the Compound
Compound ID
CP0551153
Compound Name
N-cyclopropyl-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
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Structure
Formula
C23H27N5
Molecular Weight
373.504
Canonical SMILES
Cc1cccc(CN2CCN(CC2)c2nc3ccccc3nc2NC2CC2)c1
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InChI
InChI=1S/C23H27N5/c1-17-5-4-6-18(15-17)16-27-11-13-28(14-12-27)23-22(24-19-9-10-19)25-20-7-2-3-8-21(20)26-23/h2-8,15,19H,9-14,16H2,1H3,(H,24,25)
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InChIKey
WRBYOTSWEJDNOE-UHFFFAOYSA-N
Physicochemical Property
logP
3.83472
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
44.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 73050886
ChEMBL ID
CHEMBL3719424
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: PT06269, G-protein coupled receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 14000 nM
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