General Information of the Compound
Compound ID
CP0861071
Compound Name
SID90341384
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Structure
Formula
C21H27NO2
Molecular Weight
325.452
Canonical SMILES
CCc1ccccc1OC[C@@H](O)CN[C@H]1CCc2ccccc2C1
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InChI
InChI=1S/C21H27NO2/c1-2-16-7-5-6-10-21(16)24-15-20(23)14-22-19-12-11-17-8-3-4-9-18(17)13-19/h3-10,19-20,22-23H,2,11-15H2,1H3/t19-,20-/m0/s1
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InChIKey
ZDWNVUUXKGJQMT-PMACEKPBSA-N
Physicochemical Property
logP
3.1358
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
41.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 11957701
ChEMBL ID
CHEMBL1315261
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 = 14689.2 nM
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