General Information of the Compound
Compound ID
CP0894454
Compound Name
2-((7-Nitrobenzo[c] [1,2,5]oxadiazol-4-yl)amino)benzamide
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Structure
Formula
C13H9N5O4
Molecular Weight
299.246
Canonical SMILES
NC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12
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InChI
InChI=1S/C13H9N5O4/c14-13(19)7-3-1-2-4-8(7)15-9-5-6-10(18(20)21)12-11(9)16-22-17-12/h1-6,15H,(H2,14,19)
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InChIKey
KVYLNTXPHNHSCB-UHFFFAOYSA-N
Physicochemical Property
logP
1.9735
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
137.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 122417811
ChEMBL ID
CHEMBL4531517
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: PT04664, Myc proto-oncogene protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 30000 nM
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