General Information of the Compound
Compound ID
CP0373230
Compound Name
10-hydroxy-4-(trifluoromethyl)-1,5-dihydrochromeno[3,4-f]quinolin-2-one
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Structure
Formula
C17H10F3NO3
Molecular Weight
333.265
Canonical SMILES
Oc1cccc2OCc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12
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InChI
InChI=1S/C17H10F3NO3/c18-17(19,20)10-6-14(23)21-11-5-4-8-9(15(10)11)7-24-13-3-1-2-12(22)16(8)13/h1-6,22H,7H2,(H,21,23)
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InChIKey
WNDZQGRJOXXLKI-UHFFFAOYSA-N
Physicochemical Property
logP
3.8119
Rotatable Bonds
0
Heavy Atom Count
24
Polar Areas
62.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 25017509
SID: 56361156
ChEMBL ID
CHEMBL253535
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 = 16 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000099 SaOS-2 Homo sapiens (Human)  1
1
IC50 = 1.1 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 1.3 nM
   TI
   LI
   LO
   TS