General Information of the Compound
Compound ID
CP0964026
Compound Name
3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide
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Structure
Formula
C23H20F3N3O2
Molecular Weight
427.426
Canonical SMILES
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)NC1CC2(CC2)NC1=O
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InChI
InChI=1S/C23H20F3N3O2/c24-13-3-1-12(2-4-13)20-15(16-9-14(25)10-17(26)21(16)28-20)5-6-19(30)27-18-11-23(7-8-23)29-22(18)31/h1-4,9-10,18,28H,5-8,11H2,(H,27,30)(H,29,31)
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InChIKey
XCESMVPJDIACBF-UHFFFAOYSA-N
Physicochemical Property
logP
3.7221
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
73.99
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 153620100
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: PT07126, Apolipoprotein L1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS