General Information of the Compound
Compound ID
CP0124065
Compound Name
N-(2-methylphenyl)-5,12-dioxoindolizino[3,2-g]quinoline-11-carboxamide
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Structure
Formula
C23H15N3O3
Molecular Weight
381.391
Canonical SMILES
Cc1ccccc1NC(=O)c1c2c(C(=O)c3cccnc3C2=O)n2ccccc12
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InChI
InChI=1S/C23H15N3O3/c1-13-7-2-3-9-15(13)25-23(29)17-16-10-4-5-12-26(16)20-18(17)22(28)19-14(21(20)27)8-6-11-24-19/h2-12H,1H3,(H,25,29)
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InChIKey
QRLGVNJFMUHYGF-UHFFFAOYSA-N
Physicochemical Property
logP
3.67042
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
80.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 145984936
ChEMBL ID
CHEMBL4237632
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 2662 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 134 nM