General Information of the Compound
Compound ID
CP0358260
Compound Name
3-(2,6-dichlorobenzyloxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
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Structure
Formula
C15H13Cl2N5O
Molecular Weight
350.209
Canonical SMILES
Cn1cc(cn1)-c1cnc(N)c(OCc2c(Cl)cccc2Cl)n1
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InChI
InChI=1S/C15H13Cl2N5O/c1-22-7-9(5-20-22)13-6-19-14(18)15(21-13)23-8-10-11(16)3-2-4-12(10)17/h2-7H,8H2,1H3,(H2,18,19)
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InChIKey
OXYPWCALLJFVRS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3451
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
78.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 46880882
ChEMBL ID
CHEMBL1076735
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: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1700 nM
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