General Information of the Compound
Compound ID
CP0373217
Compound Name
10-methoxy-4-methyl-9-propan-2-yloxy-1H-chromeno[3,4-f]quinoline-2,5-dione
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Structure
Formula
C21H19NO5
Molecular Weight
365.385
Canonical SMILES
COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
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InChI
InChI=1S/C21H19NO5/c1-10(2)26-15-8-7-14-18(20(15)25-4)12-5-6-13-17(19(12)21(24)27-14)11(3)9-16(23)22-13/h5-10H,1-4H3,(H,22,23)
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InChIKey
XRNVRWIQRZYNCK-UHFFFAOYSA-N
Physicochemical Property
logP
3.89192
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
81.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 25017760
SID: 56361410
ChEMBL ID
CHEMBL256768
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 = 23 nM
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000099 SaOS-2 Homo sapiens (Human)  1
1
IC50 = 2.8 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 21 nM
   TI
   LI
   LO
   TS