General Information of the Compound
Compound ID
CP0874152
Compound Name
N-cyclopropyl-3-(4-(3-methylbenzyl)piperazin-1-yl)pyrido[2,3-b]pyrazin-2-amine
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Structure
Formula
C22H26N6
Molecular Weight
374.492
Canonical SMILES
Cc1cccc(CN2CCN(c3nc4ncccc4nc3NC3CC3)CC2)c1
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InChI
InChI=1S/C22H26N6/c1-16-4-2-5-17(14-16)15-27-10-12-28(13-11-27)22-21(24-18-7-8-18)25-19-6-3-9-23-20(19)26-22/h2-6,9,14,18H,7-8,10-13,15H2,1H3,(H,24,25)
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InChIKey
ZZSGIYIJAYNSHM-UHFFFAOYSA-N
Physicochemical Property
logP
3.22972
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
57.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 90039111
ChEMBL ID
CHEMBL3715318
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
IC50 = 840 nM
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