General Information of the Compound
Compound ID
CP0543546
Compound Name
4-(2,3-dichlorophenyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
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Structure
Formula
C18H17Cl2N5O
Molecular Weight
390.274
Canonical SMILES
Clc1cccc(N2CCN(CC2)C(=O)Nc2ccc3[nH]ncc3c2)c1Cl
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InChI
InChI=1S/C18H17Cl2N5O/c19-14-2-1-3-16(17(14)20)24-6-8-25(9-7-24)18(26)22-13-4-5-15-12(10-13)11-21-23-15/h1-5,10-11H,6-9H2,(H,21,23)(H,22,26)
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InChIKey
FWKPVZBGIQUFFA-UHFFFAOYSA-N
Physicochemical Property
logP
4.2238
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
64.26
Hydrogen Bond Donor Count
2
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: 168288198
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 = 1020 nM
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