General Information of the Compound
Compound ID
CP0422395
Compound Name
2-(4-chloro-2-methylphenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
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Structure
Formula
C17H14ClF3N2O2
Molecular Weight
370.758
Canonical SMILES
Cc1cc(Cl)ccc1OCC(=O)N\N=C\c1ccccc1C(F)(F)F
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InChI
InChI=1S/C17H14ClF3N2O2/c1-11-8-13(18)6-7-15(11)25-10-16(24)23-22-9-12-4-2-3-5-14(12)17(19,20)21/h2-9H,10H2,1H3,(H,23,24)/b22-9+
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InChIKey
NTVFFXVWKJPSMH-LSFURLLWSA-N
Physicochemical Property
logP
4.19632
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
50.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 9651715
ChEMBL ID
CHEMBL4448175
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: PT06716, Anoctamin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000259 FRT Rattus norvegicus (Rat)  1
1
IC50 = 210 nM
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