General Information of the Compound
Compound ID
CP0565817
Compound Name
1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[2-(dimethylamino)ethyl-methylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
    Show/Hide
Structure
Formula
C24H27Cl4N3O2
Molecular Weight
531.311
Canonical SMILES
CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
    Show/Hide
InChI
InChI=1S/C24H27Cl4N3O2/c1-30(2)10-11-31(3)22(32)21(12-15-4-5-16(25)13-19(15)27)29-23(33)24(8-9-24)18-7-6-17(26)14-20(18)28/h4-7,13-14,21H,8-12H2,1-3H3,(H,29,33)/t21-/m0/s1
    Show/Hide
InChIKey
WXGCKASPTGCGFN-NRFANRHFSA-N
Physicochemical Property
logP
5.0793
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
33

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 57522131
SID: 137279713
ChEMBL ID
CHEMBL2163838
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: PT02611, Ceramide glucosyltransferase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM