General Information of the Compound
Compound ID
CP0016546
Compound Name
2-(morpholin-4-yl)-benzo[h]chromen-4-one
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Synonyms
154447-35-5
2-(4-Morpholinyl)-4H-naphthol[1,2-b]pyran-4-one
2-(4-morpholinyl)-4H-naphtho[1,2-b]pyran-4-one
2-(Morpholin-4-yl)-benzo[h]chromen-4-one
2-morpholin-4-ylbenzo[h]chromen-4-one
2-morpholino-4H-benzo[h]chromen-4-one
AK186905
AOB2835
BCP04736
CHEBI:92165
CHEMBL104468
CTK0E7833
DNA-Dependent Protein Kinase Inhibitor II
DNA-PK Inhibitor II
DTXSID10432010
EX-A1100
Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate
GTPL5959
HMS3229C11
IN1364
KS-00000XHI
LY-293646
LY293646
MolPort-009-019-548
NU 7026
NU-7026
NU7026
SCHEMBL610237
ZINC9230
s2893
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Structure
Formula
C17H15NO3
Molecular Weight
281.311
Canonical SMILES
O=c1cc(oc2c3ccccc3ccc12)N1CCOCC1
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InChI
InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2
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InChIKey
KKTZALUTXUZPSN-UHFFFAOYSA-N
Physicochemical Property
logP
2.7828
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 9860529
SID: 14824482
ChEMBL ID
CHEMBL104468
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 = 230 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 230 nM
2 IC50 = 300 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 = 6400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6400 nM
Clinical Information about the Compound
Drug 1 ( Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate )
Drug Name Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate
Target(s)
PI3-kinase delta (PIK3CD)
Inhibitor
PI3K p110 beta messenger RNA (PIK3CB mRNA)
Inhibitor
PI3-kinase gamma (PIK3CG)
Inhibitor
Serine/threonine-protein kinase mTOR (mTOR)
Inhibitor
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor