General Information of the Compound
Compound ID
CP0429759
Compound Name
2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one
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Structure
Formula
C19H18N2O5S2
Molecular Weight
418.496
Canonical SMILES
O=C1c2cc(ccc2-c2ccc(cc12)N1CCCS1(=O)=O)N1CCCS1(=O)=O
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InChI
InChI=1S/C19H18N2O5S2/c22-19-17-11-13(20-7-1-9-27(20,23)24)3-5-15(17)16-6-4-14(12-18(16)19)21-8-2-10-28(21,25)26/h3-6,11-12H,1-2,7-10H2
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InChIKey
VGKXSWRQTXUVKU-UHFFFAOYSA-N
Physicochemical Property
logP
1.9778
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
91.83
Hydrogen Bond Donor Count
0
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: 127038162
ChEMBL ID
CHEMBL3741231
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
   TI
   LI
   LO
   TS