General Information of the Compound
Compound ID
CP0479700
Compound Name
N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclopentane-1-carboxamide
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Structure
Formula
C15H15F6NO
Molecular Weight
339.279
Canonical SMILES
CN(Cc1cc(F)cc(F)c1F)C(=O)C1(CCCC1)C(F)(F)F
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InChI
InChI=1S/C15H15F6NO/c1-22(8-9-6-10(16)7-11(17)12(9)18)13(23)14(15(19,20)21)4-2-3-5-14/h6-7H,2-5,8H2,1H3
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InChIKey
GGXXGMFIAAVXCA-UHFFFAOYSA-N
Physicochemical Property
logP
4.185
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 121446682
ChEMBL ID
CHEMBL4102856
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: PT00954, Receptor-interacting serine/threonine-protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
EC50 = 1234 nM
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