General Information of the Compound
Compound ID
CP0209261
Compound Name
(R)6-Allyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
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Structure
Formula
C19H19NO2
Molecular Weight
293.366
Canonical SMILES
Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
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InChI
InChI=1S/C19H19NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h2-7,15,21-22H,1,8-11H2/t15-/m1/s1
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InChIKey
XEXUKNQDDPKEIF-OAHLLOKOSA-N
Physicochemical Property
logP
3.4061
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
43.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 838674
SID: 92388639
ChEMBL ID
CHEMBL318111
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 = 26121.6 nM
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