General Information of the Compound
Compound ID
CP0388229
Compound Name
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylimidazol-4-yl)-2-oxoimidazolidine-4-carboxamide
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Structure
Formula
C17H17ClF3N5O2
Molecular Weight
415.803
Canonical SMILES
CN1[C@@H](CN(C1=O)c1cn(C)cn1)C(=O)NCc1cccc(c1Cl)C(F)(F)F
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InChI
InChI=1S/C17H17ClF3N5O2/c1-24-8-13(23-9-24)26-7-12(25(2)16(26)28)15(27)22-6-10-4-3-5-11(14(10)18)17(19,20)21/h3-5,8-9,12H,6-7H2,1-2H3,(H,22,27)/t12-/m0/s1
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InChIKey
LHANPCODMQVUSW-LBPRGKRZSA-N
Physicochemical Property
logP
2.6491
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
70.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 52943116
ChEMBL ID
CHEMBL1271885
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 = 2.512 nM
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