General Information of the Compound
Compound ID
CP0276406
Compound Name
methyl 2-[(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)methyl]prop-2-enoate
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Structure
Formula
C25H27NO4
Molecular Weight
405.494
Canonical SMILES
COC(=O)C(=C)CC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
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InChI
InChI=1S/C25H27NO4/c1-14(24(27)29-6)12-20-23-16(22-18(28-5)8-7-9-19(22)30-20)10-11-17-21(23)15(2)13-25(3,4)26-17/h7-11,13,20,26H,1,12H2,2-6H3
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InChIKey
QLWXIIXUBSZUOE-UHFFFAOYSA-N
Physicochemical Property
logP
5.5224
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
56.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 22314910
ChEMBL ID
CHEMBL45795
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
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 16 nM