General Information of the Compound
Compound ID
CP0384403
Compound Name
(4-fluorophenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
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Structure
Formula
C20H15FN2O
Molecular Weight
318.351
Canonical SMILES
Fc1ccc(cc1)C(=O)N1CCc2cc(ccc12)-c1cccnc1
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InChI
InChI=1S/C20H15FN2O/c21-18-6-3-14(4-7-18)20(24)23-11-9-16-12-15(5-8-19(16)23)17-2-1-10-22-13-17/h1-8,10,12-13H,9,11H2
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InChIKey
QSTFCMPUTOKTPX-UHFFFAOYSA-N
Physicochemical Property
logP
4.0906
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 73603296
ChEMBL ID
CHEMBL3287174
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2833 nM
   TI
   LI
   LO
   TS