General Information of the Compound
Compound ID
CP0079476
Compound Name
2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one
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Synonyms
2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one
CHEMBL435507
SCHEMBL3545107
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Structure
Formula
C18H17NO3
Molecular Weight
295.338
Canonical SMILES
CC1CN(CCO1)c1cc(=O)c2ccc3ccccc3c2o1
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InChI
InChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3
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InChIKey
RFWCIJWQGHFULK-UHFFFAOYSA-N
Physicochemical Property
logP
3.1713
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 10017389
SID: 14998351
ChEMBL ID
CHEMBL435507
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: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 190 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 190 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one )
Drug Name 2-(2-Methyl-morpholin-4-yl)-benzo[h]chromen-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor
Serine/threonine-protein kinase mTOR (mTOR)
Inhibitor