General Information of the Compound
Compound ID
CP0967286
Compound Name
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3R)-2,5-dioxopyrrolidin-3-yl]cyclobutanecarboxamide
    Show/Hide
Formula
C23H18F3N3O3
Molecular Weight
441.409
Canonical SMILES
O=C1C[C@@H](NC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C(=O)N1
    Show/Hide
InChI
InChI=1S/C23H18F3N3O3/c24-13-3-1-10(2-4-13)20-19(15-7-14(25)8-16(26)21(15)29-20)11-5-12(6-11)22(31)27-17-9-18(30)28-23(17)32/h1-4,7-8,11-12,17,29H,5-6,9H2,(H,27,31)(H,28,30,32)/t11-,12-,17-/m1/s1
    Show/Hide
InChIKey
JDTHXJPLCKPVAA-PSTGCABASA-N
Physicochemical Property
logP
3.2771
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
91.06
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
32

"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).

    Show/Hide
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 < 250 nM
   TI
   LI
   LO
   TS