General Information of the Compound
Compound ID
CP0475555
Compound Name
phenyl N-(6-oxo-5H-phenanthridin-2-yl)carbamate
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Structure
Formula
C20H14N2O3
Molecular Weight
330.343
Canonical SMILES
O=C(Nc1ccc2[nH]c(=O)c3ccccc3c2c1)Oc1ccccc1
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InChI
InChI=1S/C20H14N2O3/c23-19-16-9-5-4-8-15(16)17-12-13(10-11-18(17)22-19)21-20(24)25-14-6-2-1-3-7-14/h1-12H,(H,21,24)(H,22,23)
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InChIKey
ZDXCRADVRFAQHG-UHFFFAOYSA-N
Physicochemical Property
logP
4.2922
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 155521775
ChEMBL ID
CHEMBL4450677
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 = 6020 nM
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