General Information of the Compound
Compound ID
CP0476450
Compound Name
1-(6-oxo-5H-phenanthridin-2-yl)-3-phenylurea
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Structure
Formula
C20H15N3O2
Molecular Weight
329.359
Canonical SMILES
O=C(Nc1ccccc1)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
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InChI
InChI=1S/C20H15N3O2/c24-19-16-9-5-4-8-15(16)17-12-14(10-11-18(17)23-19)22-20(25)21-13-6-2-1-3-7-13/h1-12H,(H,23,24)(H2,21,22,25)
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InChIKey
MFCMZZJJWSGIEA-UHFFFAOYSA-N
Physicochemical Property
logP
4.3253
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
73.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 155529744
ChEMBL ID
CHEMBL4463153
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: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 9930 nM
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