General Information of the Compound
Compound ID
CP0656809
Compound Name
SID90341210
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Structure
Formula
C22H26N2O3
Molecular Weight
366.461
Canonical SMILES
COc1ccc(CCCOc2cc(CCn3ccnc3)ccc2OC)cc1
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InChI
InChI=1S/C22H26N2O3/c1-25-20-8-5-18(6-9-20)4-3-15-27-22-16-19(7-10-21(22)26-2)11-13-24-14-12-23-17-24/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3
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InChIKey
FCBRFERWWOBAJC-UHFFFAOYSA-N
Physicochemical Property
logP
4.1546
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
45.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 4564402
SID: 16618120
ChEMBL ID
CHEMBL1332270
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: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 13091.8 nM
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