General Information of the Compound
Compound ID
CP0887612
Compound Name
(R)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-N-(tetrahydrofuran-3-yl)pyrido[3,4-b]pyrazin-2-amine
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Structure
Formula
C23H25F2N5O2
Molecular Weight
441.482
Canonical SMILES
Cc1cc2nc(N[C@@H]3CCOC3)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2cn1
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InChI
InChI=1S/C23H25F2N5O2/c1-14-10-19-20(12-26-14)29-23(22(28-19)27-16-6-9-31-13-16)30-7-4-17(5-8-30)32-21-3-2-15(24)11-18(21)25/h2-3,10-12,16-17H,4-9,13H2,1H3,(H,27,28)/t16-/m1/s1
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InChIKey
MMWROZOZDDKSMH-MRXNPFEDSA-N
Physicochemical Property
logP
3.86002
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
72.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 118320407
ChEMBL ID
CHEMBL4798089
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 = 30.1 nM
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