General Information of the Compound
Compound ID
CP0151198
Compound Name
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
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Structure
Formula
C29H30N2O4
Molecular Weight
470.569
Canonical SMILES
COc1cccc2OC(c3cccc(OC(=O)N(C)C)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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InChI
InChI=1S/C29H30N2O4/c1-17-16-29(2,3)30-21-14-13-20-25-22(33-6)11-8-12-23(25)35-27(26(20)24(17)21)18-9-7-10-19(15-18)34-28(32)31(4)5/h7-16,27,30H,1-6H3
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InChIKey
VAGCBEBNRFICRM-UHFFFAOYSA-N
Physicochemical Property
logP
6.5118
Rotatable Bonds
3
Heavy Atom Count
35
Polar Areas
60.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 10298892
SID: 15305593
ChEMBL ID
CHEMBL317578
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.4 nM