General Information of the Compound
Compound ID
CP0364325
Compound Name
3-(2-chlorobenzyloxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
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Structure
Formula
C15H14ClN5O
Molecular Weight
315.764
Canonical SMILES
Cn1cc(cn1)-c1cnc(N)c(OCc2ccccc2Cl)n1
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InChI
InChI=1S/C15H14ClN5O/c1-21-8-11(6-19-21)13-7-18-14(17)15(20-13)22-9-10-4-2-3-5-12(10)16/h2-8H,9H2,1H3,(H2,17,18)
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InChIKey
VIYHCEDCTJSRBM-UHFFFAOYSA-N
Physicochemical Property
logP
2.6917
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
78.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 46880883
ChEMBL ID
CHEMBL1088175
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 = 1990 nM
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