General Information of the Compound
Compound ID
CP0373221
Compound Name
10-methoxy-4-methyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinolin-2-one
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Structure
Formula
C21H19NO3
Molecular Weight
333.387
Canonical SMILES
COc1cccc2OC(CC=C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12
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InChI
InChI=1S/C21H19NO3/c1-4-6-16-21-13(20-15(24-3)7-5-8-17(20)25-16)9-10-14-19(21)12(2)11-18(23)22-14/h4-5,7-11,16H,1,6H2,2-3H3,(H,22,23)
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InChIKey
AIHZOMOUVPLYEC-UHFFFAOYSA-N
Physicochemical Property
logP
4.52172
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
51.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 25017242
SID: 56360869
ChEMBL ID
CHEMBL258384
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 144 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 1593 nM
   TI
   LI
   LO
   TS