General Information of the Compound
Compound ID
CP0547519
Compound Name
4-(5-phenylthiophen-2-yl)morpholine
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Structure
Formula
C14H15NOS
Molecular Weight
245.347
Canonical SMILES
C1CN(CCO1)c1ccc(s1)-c1ccccc1
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InChI
InChI=1S/C14H15NOS/c1-2-4-12(5-3-1)13-6-7-14(17-13)15-8-10-16-11-9-15/h1-7H,8-11H2
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InChIKey
YDTNDUBELLDKIG-UHFFFAOYSA-N
Physicochemical Property
logP
3.2517
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
12.47
Hydrogen Bond Donor Count
0
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: 693178
ChEMBL ID
CHEMBL3323470
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  2
1
IC50 = 510 nM
   TI
   LI
   LO
   TS
2
IC50 = 520 nM
   TI
   LI
   LO
   TS