General Information of the Compound
Compound ID
CP0147288
Compound Name
1-benzyl-3-(1H-indazol-5-yl)urea
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Structure
Formula
C15H14N4O
Molecular Weight
266.304
Canonical SMILES
O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
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InChI
InChI=1S/C15H14N4O/c20-15(16-9-11-4-2-1-3-5-11)18-13-6-7-14-12(8-13)10-17-19-14/h1-8,10H,9H2,(H,17,19)(H2,16,18,20)
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InChIKey
CXBJSHXVWUZPRT-UHFFFAOYSA-N
Physicochemical Property
logP
2.8846
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
69.81
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 17838190
ChEMBL ID
CHEMBL225282
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 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01184, Rho-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 13900 nM
   TI
   LI
   LO
   TS