General Information of the Compound
Compound ID
CP0388208
Compound Name
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(6-methylpyridin-2-yl)-2-oxoimidazolidine-4-carboxamide
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Structure
Formula
C19H18ClF3N4O2
Molecular Weight
426.826
Canonical SMILES
CN1[C@@H](CN(C1=O)c1cccc(C)n1)C(=O)NCc1cccc(c1Cl)C(F)(F)F
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InChI
InChI=1S/C19H18ClF3N4O2/c1-11-5-3-8-15(25-11)27-10-14(26(2)18(27)29)17(28)24-9-12-6-4-7-13(16(12)20)19(21,22)23/h3-8,14H,9-10H2,1-2H3,(H,24,28)/t14-/m0/s1
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InChIKey
HJCLDZGYOWYDHK-AWEZNQCLSA-N
Physicochemical Property
logP
3.61902
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
65.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 52943107
ChEMBL ID
CHEMBL1271707
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: PT01449, P2X purinoceptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 79.43 nM
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