General Information of the Compound
Compound ID
CP0444560
Compound Name
N-[1-(furan-2-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
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Structure
Formula
C17H20N4O
Molecular Weight
296.374
Canonical SMILES
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccco1
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InChI
InChI=1S/C17H20N4O/c1-3-15(11-21(7-1)12-16-4-2-8-22-16)19-14-5-6-17-13(9-14)10-18-20-17/h2,4-6,8-10,15,19H,1,3,7,11-12H2,(H,18,20)
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InChIKey
FLZNZODFDWZMJE-UHFFFAOYSA-N
Physicochemical Property
logP
3.2324
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
57.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44421868
ChEMBL ID
CHEMBL225167
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 = 5000 nM
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