General Information of the Compound
Compound ID
CP0970132
Compound Name
N-cyclopropyl-2-(4-(2-fluoro-4-methoxybenzyl)piperazin-1-yl)-7-methylpyrido[3,4-b]pyrazin-3-amine
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Structure
Formula
C23H27FN6O
Molecular Weight
422.508
Canonical SMILES
COc1ccc(CN2CCN(c3nc4cc(C)ncc4nc3NC3CC3)CC2)c(F)c1
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InChI
InChI=1S/C23H27FN6O/c1-15-11-20-21(13-25-15)27-22(26-17-4-5-17)23(28-20)30-9-7-29(8-10-30)14-16-3-6-18(31-2)12-19(16)24/h3,6,11-13,17H,4-5,7-10,14H2,1-2H3,(H,26,27)
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InChIKey
MMHBERJUAZGLDL-UHFFFAOYSA-N
Physicochemical Property
logP
3.37742
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
66.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 118320414
ChEMBL ID
CHEMBL4740397
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 > 1000 nM
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