General Information of the Compound
Compound ID
CP0515895
Compound Name
N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
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Structure
Formula
C18H21N5
Molecular Weight
307.401
Canonical SMILES
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccncc1
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InChI
InChI=1S/C18H21N5/c1-2-17(13-23(9-1)12-14-5-7-19-8-6-14)21-16-3-4-18-15(10-16)11-20-22-18/h3-8,10-11,17,21H,1-2,9,12-13H2,(H,20,22)
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InChIKey
MGVAYCIVCIZWQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.0344
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
56.84
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 44421856
ChEMBL ID
CHEMBL224533
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: PT01021, C-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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