General Information of the Compound
Compound ID
CP0373249
Compound Name
10-methoxy-4,5-dimethyl-1,5-dihydrochromeno[3,4-f]quinolin-2-one
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Structure
Formula
C19H17NO3
Molecular Weight
307.349
Canonical SMILES
COc1cccc2OC(C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12
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InChI
InChI=1S/C19H17NO3/c1-10-9-16(21)20-13-8-7-12-18(17(10)13)11(2)23-15-6-4-5-14(22-3)19(12)15/h4-9,11H,1-3H3,(H,20,21)
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InChIKey
LWPGBKLIVJGZBQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.96552
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
51.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 25017239
SID: 56360866
ChEMBL ID
CHEMBL253744
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 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 62 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 250 nM
   TI
   LI
   LO
   TS