General Information of the Compound
Compound ID
CP0399724
Compound Name
9-hydroxy-10-methoxy-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
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Structure
Formula
C18H13NO5
Molecular Weight
323.304
Canonical SMILES
COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
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InChI
InChI=1S/C18H13NO5/c1-8-7-13(21)19-10-4-3-9-15-12(6-5-11(20)17(15)23-2)24-18(22)16(9)14(8)10/h3-7,20H,1-2H3,(H,19,21)
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InChIKey
SNCFYIQVKBGNRO-UHFFFAOYSA-N
Physicochemical Property
logP
2.81032
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
92.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 25017511
SID: 56361158
ChEMBL ID
CHEMBL427898
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 = 21 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000099 SaOS-2 Homo sapiens (Human)  1
1
IC50 = 0.2 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 4 nM
   TI
   LI
   LO
   TS