General Information of the Compound
Compound ID
CP0574580
Compound Name
N-methyl-3-phenoxazin-10-yl-N-(2-phenylethyl)propan-1-amine
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Structure
Formula
C24H26N2O
Molecular Weight
358.485
Canonical SMILES
CN(CCCN1c2ccccc2Oc2ccccc12)CCc1ccccc1
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InChI
InChI=1S/C24H26N2O/c1-25(19-16-20-10-3-2-4-11-20)17-9-18-26-21-12-5-7-14-23(21)27-24-15-8-6-13-22(24)26/h2-8,10-15H,9,16-19H2,1H3
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InChIKey
ZJEUSMOJVJPSNI-UHFFFAOYSA-N
Physicochemical Property
logP
5.495
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 118724307
ChEMBL ID
CHEMBL3360565
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: PT01509, Sigma non-opioid intracellular receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
Ki = 18 nM
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