General Information of the Compound
Compound ID
CP0543947
Compound Name
5-nitro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)furan-2-carboxamide
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Structure
Formula
C14H11N3O5
Molecular Weight
301.258
Canonical SMILES
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2NC(=O)CCc2c1
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InChI
InChI=1S/C14H11N3O5/c18-12-5-1-8-7-9(2-3-10(8)16-12)15-14(19)11-4-6-13(22-11)17(20)21/h2-4,6-7H,1,5H2,(H,15,19)(H,16,18)
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InChIKey
BAALBRKTZLZYDR-UHFFFAOYSA-N
Physicochemical Property
logP
2.3248
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
114.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 45582908
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: PT04648, Urea transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 1060 nM
   TI
   LI
   LO
   TS
Protein ID: PT03153, Urea transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 2190 nM
   TI
   LI
   LO
   TS