General Information of the Compound
Compound ID
CP0924160
Compound Name
(E)-4-(9-Triphenylphosphoniumnonyloxy)stilbene Iodide
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Structure
Formula
C41H44IOP
Molecular Weight
710.68
Canonical SMILES
C(=C/c1ccc(OCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1.[I-]
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InChI
InChI=1S/C41H44OP.HI/c1(2-4-18-34-42-38-32-30-37(31-33-38)29-28-36-20-10-6-11-21-36)3-5-19-35-43(39-22-12-7-13-23-39,40-24-14-8-15-25-40)41-26-16-9-17-27-41;/h6-17,20-33H,1-5,18-19,34-35H2;1H/q+1;/p-1/b29-28+;
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InChIKey
BBQBTVXJWMOHMK-IRWWKPKRSA-M
Physicochemical Property
logP
6.9646
Rotatable Bonds
16
Heavy Atom Count
44
Polar Areas
9.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
44

"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: 145988882
ChEMBL ID
CHEMBL4290427
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
Ki = 1288 nM
   TI
   LI
   LO
   TS