General Information of the Compound
Compound ID
CP0151044
Compound Name
1-(1H-indazol-5-yl)-3-phenylurea
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Structure
Formula
C14H12N4O
Molecular Weight
252.277
Canonical SMILES
O=C(Nc1ccccc1)Nc1ccc2[nH]ncc2c1
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InChI
InChI=1S/C14H12N4O/c19-14(16-11-4-2-1-3-5-11)17-12-6-7-13-10(8-12)9-15-18-13/h1-9H,(H,15,18)(H2,16,17,19)
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InChIKey
WQCFQGCVNLNBRH-UHFFFAOYSA-N
Physicochemical Property
logP
3.2069
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
69.81
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 4421488
ChEMBL ID
CHEMBL2023148
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: 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 = 157100 nM
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