General Information of the Compound
Compound ID
CP0374358
Compound Name
5-fluoro-1-(2-(trifluoromethyl)benzyl)indoline-2,3-dione
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Structure
Formula
C16H9F4NO2
Molecular Weight
323.245
Canonical SMILES
Fc1ccc2N(Cc3ccccc3C(F)(F)F)C(=O)C(=O)c2c1
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InChI
InChI=1S/C16H9F4NO2/c17-10-5-6-13-11(7-10)14(22)15(23)21(13)8-9-3-1-2-4-12(9)16(18,19)20/h1-7H,8H2
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InChIKey
FHHVMNIPMGSCCR-UHFFFAOYSA-N
Physicochemical Property
logP
3.574
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
37.38
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 44158077
SID: 85158125
ChEMBL ID
CHEMBL467281
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: PT01913, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 6210 nM
   TI
   LI
   LO
   TS
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4090 nM
   TI
   LI
   LO
   TS