General Information of the Compound
Compound ID
CP0191019
Compound Name
1,4-bis(4-hydroxyphenethylamino)anthracene-9,10-dione
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Structure
Formula
C30H26N2O4
Molecular Weight
478.548
Canonical SMILES
Oc1ccc(CCNc2ccc(NCCc3ccc(O)cc3)c3C(=O)c4ccccc4C(=O)c23)cc1
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InChI
InChI=1S/C30H26N2O4/c33-21-9-5-19(6-10-21)15-17-31-25-13-14-26(32-18-16-20-7-11-22(34)12-8-20)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,31-34H,15-18H2
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InChIKey
UUJHFIBEJJLZBF-UHFFFAOYSA-N
Physicochemical Property
logP
5.1824
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
98.66
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
36

"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: 2817242
SID: 16259341
ChEMBL ID
CHEMBL425294
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 = 4645.1 nM
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