General Information of the Compound
Compound ID
CP0431573
Compound Name
2-morpholin-4-ylindolo[2,1-b]quinazoline-6,12-dione
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Structure
Formula
C19H15N3O3
Molecular Weight
333.347
Canonical SMILES
O=C1c2ccccc2-n2c1nc1ccc(cc1c2=O)N1CCOCC1
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InChI
InChI=1S/C19H15N3O3/c23-17-13-3-1-2-4-16(13)22-18(17)20-15-6-5-12(11-14(15)19(22)24)21-7-9-25-10-8-21/h1-6,11H,7-10H2
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InChIKey
RDJVGIGMQKDCAS-UHFFFAOYSA-N
Physicochemical Property
logP
1.7667
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
64.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 155565919
ChEMBL ID
CHEMBL4584081
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: PT03341, Indoleamine 2,3-dioxygenase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000102 U-87MG ATCC Homo sapiens (Human)  1
1
IC50 = 20320 nM
   TI
   LI
   LO
   TS
Protein ID: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS