General Information of the Compound
Compound ID
CP0968585
Compound Name
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,3-dihydroxypropyl)-N-methyl-cyclobutanecarboxamide
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Formula
C23H23F3N2O3
Molecular Weight
432.442
Canonical SMILES
CN(CC(O)CO)C(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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InChI
InChI=1S/C23H23F3N2O3/c1-28(10-17(30)11-29)23(31)14-6-13(7-14)20-18-8-16(25)9-19(26)22(18)27-21(20)12-2-4-15(24)5-3-12/h2-5,8-9,13-14,17,27,29-30H,6-7,10-11H2,1H3/t13-,14-,17?
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InChIKey
DBASHGPPTLVNMD-KDMJMNFUSA-N
Physicochemical Property
logP
3.5574
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
76.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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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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