General Information of the Compound
Compound ID
CP0373226
Compound Name
10-(hydroxymethyl)-4-methyl-1,5-dihydrochromeno[3,4-f]quinolin-2-one
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Structure
Formula
C18H15NO3
Molecular Weight
293.322
Canonical SMILES
Cc1cc(=O)[nH]c2ccc-3c(COc4cccc(CO)c-34)c12
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InChI
InChI=1S/C18H15NO3/c1-10-7-16(21)19-14-6-5-12-13(17(10)14)9-22-15-4-2-3-11(8-20)18(12)15/h2-7,20H,8-9H2,1H3,(H,19,21)
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InChIKey
HNYRSZRBOVPOHQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.88822
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
62.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 25017244
SID: 56360871
ChEMBL ID
CHEMBL257151
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 = 12 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000099 SaOS-2 Homo sapiens (Human)  1
1
IC50 = 0.3 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 26 nM
   TI
   LI
   LO
   TS