General Information of the Compound
Compound ID
CP0577179
Compound Name
4-(2-chlorophenyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
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Structure
Formula
C18H18ClN5O
Molecular Weight
355.829
Canonical SMILES
Clc1ccccc1N1CCN(CC1)C(=O)Nc1ccc2[nH]ncc2c1
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InChI
InChI=1S/C18H18ClN5O/c19-15-3-1-2-4-17(15)23-7-9-24(10-8-23)18(25)21-14-5-6-16-13(11-14)12-20-22-16/h1-6,11-12H,7-10H2,(H,20,22)(H,21,25)
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InChIKey
OGYFFFMAROBOJD-UHFFFAOYSA-N
Physicochemical Property
logP
3.5704
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
64.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 168285489
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 580 nM
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