General Information of the Compound
Compound ID
CP0303925
Compound Name
10-methoxy-2,2,4-trimethyl-5-(2-methylidenecyclohexyl)-1,5-dihydrochromeno[3,4-f]quinoline
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Structure
Formula
C27H31NO2
Molecular Weight
401.55
Canonical SMILES
COc1cccc2OC(C3CCCCC3=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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InChI
InChI=1S/C27H31NO2/c1-16-9-6-7-10-18(16)26-25-19(24-21(29-5)11-8-12-22(24)30-26)13-14-20-23(25)17(2)15-27(3,4)28-20/h8,11-15,18,26,28H,1,6-7,9-10H2,2-5H3
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InChIKey
NZPCXKZTDCQMHF-UHFFFAOYSA-N
Physicochemical Property
logP
7.1495
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
30.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 22315021
ChEMBL ID
CHEMBL295475
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 = 320 nM
   TI
   LI
   LO
   TS
2
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Activity = 11 nM