General Information of the Compound
Compound ID
CP0887620
Compound Name
N-(3-chlorophenyl)-3-(4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)benzamide
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Structure
Formula
C19H15ClN6O
Molecular Weight
378.823
Canonical SMILES
Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc(Cl)c3)c2)nn1
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InChI
InChI=1S/C19H15ClN6O/c1-25-12-21-10-18(25)17-11-26(24-23-17)16-7-2-4-13(8-16)19(27)22-15-6-3-5-14(20)9-15/h2-12H,1H3,(H,22,27)
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InChIKey
LKJCXELXJGTDQD-UHFFFAOYSA-N
Physicochemical Property
logP
3.5735
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
77.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 146294019
ChEMBL ID
CHEMBL4751520
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: PT06102, Probable G-protein coupled receptor 142
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 0.21 nM
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