General Information of the Compound
Compound ID
CP0575890
Compound Name
N-cyclopropyl-3-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-7-methylpyrido[3,4-b]pyrazin-2-amine
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Structure
Formula
C22H24F2N6
Molecular Weight
410.472
Canonical SMILES
Cc1cc2nc(NC3CC3)c(nc2cn1)N1CCN(Cc2ccc(F)cc2F)CC1
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InChI
InChI=1S/C22H24F2N6/c1-14-10-19-20(12-25-14)28-22(21(27-19)26-17-4-5-17)30-8-6-29(7-9-30)13-15-2-3-16(23)11-18(15)24/h2-3,10-12,17H,4-9,13H2,1H3,(H,26,27)
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InChIKey
VDNIRGKXRYOTKD-UHFFFAOYSA-N
Physicochemical Property
logP
3.50792
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
57.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 118308597
ChEMBL ID
CHEMBL4756097
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 = 29000 nM
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