General Information of the Compound
Compound ID
CP0255255
Compound Name
7-(1-methylpyrazol-4-yl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
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Structure
Formula
C16H19N7O
Molecular Weight
325.376
Canonical SMILES
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1
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InChI
InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1
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InChIKey
UAUJVWLUSNTVTA-LBPRGKRZSA-N
Physicochemical Property
logP
0.8256
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
89.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
24

"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: 66556035
SID: 152162808
ChEMBL ID
CHEMBL4466696
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50118.72 nM
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