General Information of the Compound
Compound ID
CP0868892
Compound Name
N-(4-Methyl-3-((1-propionylpiperidin-4-yl)oxy)phenyl)-3-(trifluoromethyl)benzamide
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Structure
Formula
C23H25F3N2O3
Molecular Weight
434.458
Canonical SMILES
CCC(=O)N1CCC(Oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)CC1
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InChI
InChI=1S/C23H25F3N2O3/c1-3-21(29)28-11-9-19(10-12-28)31-20-14-18(8-7-15(20)2)27-22(30)16-5-4-6-17(13-16)23(24,25)26/h4-8,13-14,19H,3,9-12H2,1-2H3,(H,27,30)
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InChIKey
KDOKQNJIYNAGEQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.04592
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
58.64
Hydrogen Bond Donor Count
1
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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PubChem ID
CID: 127044107
ChEMBL ID
CHEMBL3809338
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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
GI50 = 1550 nM
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