General Information of the Compound
Compound ID
CP0526472
Compound Name
(4S)-N-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
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Structure
Formula
C13H15Cl2N3O2
Molecular Weight
316.188
Canonical SMILES
CN1C[C@H](N(C)C1=O)C(=O)NCc1ccc(Cl)cc1Cl
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InChI
InChI=1S/C13H15Cl2N3O2/c1-17-7-11(18(2)13(17)20)12(19)16-6-8-3-4-9(14)5-10(8)15/h3-5,11H,6-7H2,1-2H3,(H,16,19)/t11-/m0/s1
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InChIKey
VOIBQLQMQDRWAO-NSHDSACASA-N
Physicochemical Property
logP
1.9754
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 52943044
ChEMBL ID
CHEMBL1269248
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 = 1.995 nM
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