General Information of the Compound
Compound ID
CP0332824
Compound Name
10-methoxy-2,2,4-trimethyl-5-[(Z)-pent-2-enyl]-1,5-dihydrochromeno[3,4-f]quinoline
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Structure
Formula
C25H29NO2
Molecular Weight
375.512
Canonical SMILES
CC\C=C/CC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
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InChI
InChI=1S/C25H29NO2/c1-6-7-8-10-21-24-17(23-19(27-5)11-9-12-20(23)28-21)13-14-18-22(24)16(2)15-25(3,4)26-18/h7-9,11-15,21,26H,6,10H2,1-5H3/b8-7-
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InChIKey
ITIFLYRISHSCNW-FPLPWBNLSA-N
Physicochemical Property
logP
6.7594
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
30.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44293267
ChEMBL ID
CHEMBL416278
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)  2
1
IC50 = 88 nM
   TI
   LI
   LO
   TS
2
IC50 = 89 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 3.1 nM