General Information of the Compound
Compound ID
CP0891238
Compound Name
N,N'-(9-oxo-9H-fluorene-2,7-diyl)bis(2-hydroxyacetamide)
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Structure
Formula
C17H14N2O5
Molecular Weight
326.308
Canonical SMILES
O=C(CO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CO)ccc1-2
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InChI
InChI=1S/C17H14N2O5/c20-7-15(22)18-9-1-3-11-12-4-2-10(19-16(23)8-21)6-14(12)17(24)13(11)5-9/h1-6,20-21H,7-8H2,(H,18,22)(H,19,23)
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InChIKey
BMNLTQFLNSSENS-UHFFFAOYSA-N
Physicochemical Property
logP
0.7596
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
115.73
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 127039386
ChEMBL ID
CHEMBL3741247
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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