General Information of the Compound
Compound ID
CP0373703
Compound Name
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
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Structure
Formula
C19H21ClN4
Molecular Weight
340.858
Canonical SMILES
Clc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
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InChI
InChI=1S/C19H21ClN4/c20-16-4-1-3-14(9-16)12-24-8-2-5-18(13-24)22-17-6-7-19-15(10-17)11-21-23-19/h1,3-4,6-7,9-11,18,22H,2,5,8,12-13H2,(H,21,23)
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InChIKey
KCHJGCRFBMOASW-UHFFFAOYSA-N
Physicochemical Property
logP
4.2928
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
43.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 21098478
ChEMBL ID
CHEMBL389168
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 = 8000 nM
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