General Information of the Compound
Compound ID
CP0499248
Compound Name
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
    Show/Hide
Structure
Formula
C23H24N4O3
Molecular Weight
404.47
Canonical SMILES
COCCN(C)CCNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
    Show/Hide
InChI
InChI=1S/C23H24N4O3/c1-26(12-13-30-2)11-9-24-22(28)18-8-5-10-27-21(18)25-20-15-17-7-4-3-6-16(17)14-19(20)23(27)29/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,24,28)
    Show/Hide
InChIKey
UIZOCZLARAMGLG-UHFFFAOYSA-N
Physicochemical Property
logP
2.3089
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
75.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 90644363
ChEMBL ID
CHEMBL3289428
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: PT06775, DNA-directed RNA polymerase I subunit RPA1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 730 nM
   TI
   LI
   LO
   TS