General Information of the Compound
Compound ID
CP0931135
Compound Name
N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)pyrido[2,3-b]pyrazin-2-amine
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Structure
Formula
C21H22Cl2N6
Molecular Weight
429.355
Canonical SMILES
Clc1ccc(Cl)c(CN2CCN(c3nc4ncccc4nc3NC3CC3)CC2)c1
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InChI
InChI=1S/C21H22Cl2N6/c22-15-3-6-17(23)14(12-15)13-28-8-10-29(11-9-28)21-20(25-16-4-5-16)26-18-2-1-7-24-19(18)27-21/h1-3,6-7,12,16H,4-5,8-11,13H2,(H,25,26)
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InChIKey
SJTLNPJSZQZYKH-UHFFFAOYSA-N
Physicochemical Property
logP
4.2281
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
57.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 118308530
ChEMBL ID
CHEMBL3715178
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 = 1130 nM
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