General Information of the Compound
Compound ID
CP0394256
Compound Name
9-fluoro-4-methyl-1H-chromeno[3,4-f]quinoline-2,5-dione
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Structure
Formula
C17H10FNO3
Molecular Weight
295.269
Canonical SMILES
Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
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InChI
InChI=1S/C17H10FNO3/c1-8-6-14(20)19-12-4-3-10-11-7-9(18)2-5-13(11)22-17(21)16(10)15(8)12/h2-7H,1H3,(H,19,20)
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InChIKey
MZILYDLMSDTOPA-UHFFFAOYSA-N
Physicochemical Property
logP
3.23522
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
63.07
Hydrogen Bond Donor Count
1
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: 25016975
SID: 56360587
ChEMBL ID
CHEMBL258241
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 = 240 nM
   TI
   LI
   LO
   TS
2
IC50 = 27 nM
   TI
   LI
   LO
   TS
CL000099 SaOS-2 Homo sapiens (Human)  1
1
IC50 = 101 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 1000 nM
   TI
   LI
   LO
   TS