General Information of the Compound
Compound ID
CP0499244
Compound Name
N-[2-(dimethylamino)ethyl]-N-ethyl-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
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Structure
Formula
C23H24N4O2
Molecular Weight
388.471
Canonical SMILES
CCN(CCN(C)C)C(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
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InChI
InChI=1S/C23H24N4O2/c1-4-26(13-12-25(2)3)22(28)18-10-7-11-27-21(18)24-20-15-17-9-6-5-8-16(17)14-19(20)23(27)29/h5-11,14-15H,4,12-13H2,1-3H3
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InChIKey
XCQOLHONWRNHIG-UHFFFAOYSA-N
Physicochemical Property
logP
3.0246
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
57.92
Hydrogen Bond Donor Count
0
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: 90644339
ChEMBL ID
CHEMBL3289402
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 > 100000 nM
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   LI
   LO
   TS