General Information of the Compound
Compound ID
CP0947078
Compound Name
N,N'-(9-oxo-9H-fluorene-2,7-diyl)bis(2-(benzyloxy)acetamide)
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Structure
Formula
C31H26N2O5
Molecular Weight
506.558
Canonical SMILES
O=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)COCc3ccccc3)ccc1-2
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InChI
InChI=1S/C31H26N2O5/c34-29(19-37-17-21-7-3-1-4-8-21)32-23-11-13-25-26-14-12-24(16-28(26)31(36)27(25)15-23)33-30(35)20-38-18-22-9-5-2-6-10-22/h1-16H,17-20H2,(H,32,34)(H,33,35)
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InChIKey
NWJRTYGYYGGVSF-UHFFFAOYSA-N
Physicochemical Property
logP
5.2086
Rotatable Bonds
10
Heavy Atom Count
38
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
38

"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: 127039500
ChEMBL ID
CHEMBL3740411
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 > 50000 nM
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