General Information of the Compound
Compound ID
CP0391183
Compound Name
2-amino-4-(4-propylmorpholin-2-yl)phenol
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Structure
Formula
C13H20N2O2
Molecular Weight
236.315
Canonical SMILES
CCCN1CCOC(C1)c1ccc(O)c(N)c1
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InChI
InChI=1S/C13H20N2O2/c1-2-5-15-6-7-17-13(9-15)10-3-4-12(16)11(14)8-10/h3-4,8,13,16H,2,5-7,9,14H2,1H3
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InChIKey
HZWYVVALALXEJB-UHFFFAOYSA-N
Physicochemical Property
logP
1.7577
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
58.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 44443948
ChEMBL ID
CHEMBL249793
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: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 40 nM
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