General Information of the Compound
Compound ID
CP0381933
Compound Name
1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazol-3-amine
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Structure
Formula
C15H18Cl2N4O
Molecular Weight
341.242
Canonical SMILES
Clc1ccc(cc1Cl)-n1ccc(NCCN2CCOCC2)n1
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InChI
InChI=1S/C15H18Cl2N4O/c16-13-2-1-12(11-14(13)17)21-5-3-15(19-21)18-4-6-20-7-9-22-10-8-20/h1-3,5,11H,4,6-10H2,(H,18,19)
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InChIKey
JVFBDPXGXNHKEA-UHFFFAOYSA-N
Physicochemical Property
logP
2.9232
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
42.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 24743568
SID: 49637130
ChEMBL ID
CHEMBL2170053
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: PT01509, Sigma non-opioid intracellular receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 39 nM
   TI
   LI
   LO
   TS
2
Ki = 39.4 nM
   TI
   LI
   LO
   TS