General Information of the Compound
Compound ID
CP0537961
Compound Name
N-benzyl-3-(6-piperazin-1-ylpyridin-3-yl)-1H-indazol-5-amine
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Structure
Formula
C23H24N6
Molecular Weight
384.487
Canonical SMILES
C(Nc1ccc2[nH]nc(-c3ccc(nc3)N3CCNCC3)c2c1)c1ccccc1
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InChI
InChI=1S/C23H24N6/c1-2-4-17(5-3-1)15-25-19-7-8-21-20(14-19)23(28-27-21)18-6-9-22(26-16-18)29-12-10-24-11-13-29/h1-9,14,16,24-25H,10-13,15H2,(H,27,28)
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InChIKey
GJBKZCGBJFTELM-UHFFFAOYSA-N
Physicochemical Property
logP
3.6466
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
68.87
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 155516791
ChEMBL ID
CHEMBL4443955
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: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 73 nM
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