General Information of the Compound
Compound ID
CP0514977
Compound Name
US9296728, 27
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Structure
Formula
C24H17F2NO4
Molecular Weight
421.399
Canonical SMILES
OC(=O)c1cc2ccc(cc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
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InChI
InChI=1S/C24H17F2NO4/c25-18-6-1-15(2-7-18)13-27(14-16-3-8-19(26)9-4-16)20-10-5-17-11-21(23(28)29)24(30)31-22(17)12-20/h1-12H,13-14H2,(H,28,29)
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InChIKey
QIMUJZXUWHPQCH-UHFFFAOYSA-N
Physicochemical Property
logP
4.9762
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
70.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 71667690
ChEMBL ID
CHEMBL3972814
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: PT06330, Monocarboxylate transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000478 RBE4 Rattus norvegicus (Rat)  1
1
IC50 = 200 nM
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