General Information of the Compound
Compound ID
CP0556295
Compound Name
10-[3-(1,3-dihydroisoindol-2-yl)propyl]phenoxazine
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Structure
Formula
C23H22N2O
Molecular Weight
342.442
Canonical SMILES
C(CN1Cc2ccccc2C1)CN1c2ccccc2Oc2ccccc12
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InChI
InChI=1S/C23H22N2O/c1-2-9-19-17-24(16-18(19)8-1)14-7-15-25-20-10-3-5-12-22(20)26-23-13-6-4-11-21(23)25/h1-6,8-13H,7,14-17H2
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InChIKey
VXYNTNGLIAGLDP-UHFFFAOYSA-N
Physicochemical Property
logP
5.3363
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 118724315
ChEMBL ID
CHEMBL3360573
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 > 200 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS