General Information of the Compound
Compound ID
CP0395722
Compound Name
2-phenylethyl phenoxazine-10-carboxylate
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Structure
Formula
C21H17NO3
Molecular Weight
331.371
Canonical SMILES
O=C(OCCc1ccccc1)N1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C21H17NO3/c23-21(24-15-14-16-8-2-1-3-9-16)22-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)22/h1-13H,14-15H2
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InChIKey
JULZTAOMSNGTFU-UHFFFAOYSA-N
Physicochemical Property
logP
5.3097
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 71455545
SID: 163506307
ChEMBL ID
CHEMBL2180142
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 = 3930 nM
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