General Information of the Compound
Compound ID
CP0373222
Compound Name
5,10-dimethoxy-4-methyl-1,5-dihydrochromeno[3,4-f]quinolin-2-one
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Structure
Formula
C19H17NO4
Molecular Weight
323.348
Canonical SMILES
COC1Oc2cccc(OC)c2-c2ccc3[nH]c(=O)cc(C)c3c12
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InChI
InChI=1S/C19H17NO4/c1-10-9-15(21)20-12-8-7-11-17-13(22-2)5-4-6-14(17)24-19(23-3)18(11)16(10)12/h4-9,19H,1-3H3,(H,20,21)
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InChIKey
SMBRYGWSEQWGTO-UHFFFAOYSA-N
Physicochemical Property
logP
3.54952
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
60.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 25017238
SID: 56360865
ChEMBL ID
CHEMBL253746
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 = 184 nM
   TI
   LI
   LO
   TS
2
IC50 = 19 nM
   TI
   LI
   LO
   TS
CL000099 SaOS-2 Homo sapiens (Human)  1
1
IC50 = 112 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 2346 nM
   TI
   LI
   LO
   TS