General Information of the Compound
Compound ID
CP0966927
Compound Name
N,N'-(9-oxo-9H-fluorene-2,7-diyl)bis(2-azidoacetamide)
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Structure
Formula
C17H12N8O3
Molecular Weight
376.336
Canonical SMILES
[N-]=[N+]=NCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN=[N+]=[N-])ccc1-2
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InChI
InChI=1S/C17H12N8O3/c18-24-20-7-15(26)22-9-1-3-11-12-4-2-10(23-16(27)8-21-25-19)6-14(12)17(28)13(11)5-9/h1-6H,7-8H2,(H,22,26)(H,23,27)
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InChIKey
ABPIBWBQXNRMMP-UHFFFAOYSA-N
Physicochemical Property
logP
3.3956
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
172.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 127039499
ChEMBL ID
CHEMBL3739610
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000922 MDCK-UT-A1-AQP1-YFP Canis lupus familiaris (Dog)  1
1
IC50 = 20000 nM
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