General Information of the Compound
Compound ID
CP0510579
Compound Name
4-bromo-3-(4-propylmorpholin-2-yl)phenol
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Structure
Formula
C13H18BrNO2
Molecular Weight
300.196
Canonical SMILES
CCCN1CCOC(C1)c1cc(O)ccc1Br
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InChI
InChI=1S/C13H18BrNO2/c1-2-5-15-6-7-17-13(9-15)11-8-10(16)3-4-12(11)14/h3-4,8,13,16H,2,5-7,9H2,1H3
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InChIKey
PNODKXMTGRNCSV-UHFFFAOYSA-N
Physicochemical Property
logP
2.938
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44443941
ChEMBL ID
CHEMBL249586
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 > 10000 nM
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