General Information of the Compound
Compound ID
CP0409280
Compound Name
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methylpyridin-3-yl)-2-oxoimidazolidine-4-carboxamide
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Structure
Formula
C18H18Cl2N4O2
Molecular Weight
393.274
Canonical SMILES
CN1[C@@H](CN(C1=O)c1cccnc1C)C(=O)NCc1ccc(Cl)cc1Cl
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InChI
InChI=1S/C18H18Cl2N4O2/c1-11-15(4-3-7-21-11)24-10-16(23(2)18(24)26)17(25)22-9-12-5-6-13(19)8-14(12)20/h3-8,16H,9-10H2,1-2H3,(H,22,25)/t16-/m0/s1
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InChIKey
ICWRCRSAONKLSI-INIZCTEOSA-N
Physicochemical Property
logP
3.25362
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
65.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 52949177
ChEMBL ID
CHEMBL1271939
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 = 10 nM
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