General Information of the Compound
Compound ID
CP0452695
Compound Name
2,2,2-trifluoro-N-[9-oxo-7-[(2,2,2-trifluoroacetyl)amino]fluoren-2-yl]acetamide
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Structure
Formula
C17H8F6N2O3
Molecular Weight
402.25
Canonical SMILES
FC(F)(F)C(=O)Nc1ccc2-c3ccc(NC(=O)C(F)(F)F)cc3C(=O)c2c1
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InChI
InChI=1S/C17H8F6N2O3/c18-16(19,20)14(27)24-7-1-3-9-10-4-2-8(25-15(28)17(21,22)23)6-12(10)13(26)11(9)5-7/h1-6H,(H,24,27)(H,25,28)
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InChIKey
ZYXDOZRAVRNURL-UHFFFAOYSA-N
Physicochemical Property
logP
3.8996
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 127038160
ChEMBL ID
CHEMBL3742039
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 = 10000 nM
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