General Information of the Compound
Compound ID
CP0501474
Compound Name
3-methyl-N-(2-morpholinoethyl)isoxazolo[5,4-d]pyrimidin-4-amine
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Structure
Formula
C12H17N5O2
Molecular Weight
263.301
Canonical SMILES
Cc1noc2ncnc(NCCN3CCOCC3)c12
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InChI
InChI=1S/C12H17N5O2/c1-9-10-11(14-8-15-12(10)19-16-9)13-2-3-17-4-6-18-7-5-17/h8H,2-7H2,1H3,(H,13,14,15)
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InChIKey
HMHWGHODQCRBSD-UHFFFAOYSA-N
Physicochemical Property
logP
0.67032
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
76.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
19

"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: 20924687
ChEMBL ID
CHEMBL574770
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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