General Information of the Compound
Compound ID
CP0930935
Compound Name
(2-Morpholin-4-yl-ethyl)(1-phenyl-2-piperidin-1-yl-ethyl)amine
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Structure
Formula
C19H31N3O
Molecular Weight
317.477
Canonical SMILES
c1ccc(C(CN2CCCCC2)NCCN2CCOCC2)cc1
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InChI
InChI=1S/C19H31N3O/c1-3-7-18(8-4-1)19(17-22-10-5-2-6-11-22)20-9-12-21-13-15-23-16-14-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
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InChIKey
DMLNONMCTVBZLC-UHFFFAOYSA-N
Physicochemical Property
logP
2.1354
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
27.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 51000971
SID: 117683954
ChEMBL ID
CHEMBL4459328
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: PT06765, Hepcidin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 < 100000 nM
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   LI
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