General Information of the Compound
Compound ID
CP0490727
Compound Name
N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-phenylacetamide
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Structure
Formula
C24H21N3O
Molecular Weight
367.452
Canonical SMILES
Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1ccccc1
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InChI
InChI=1S/C24H21N3O/c1-17-14-23-20(21(26-27-23)13-12-18-8-4-2-5-9-18)16-22(17)25-24(28)15-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/b13-12+
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InChIKey
VYAAXBSGJBZIIN-OUKQBFOZSA-N
Physicochemical Property
logP
5.22292
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 46886305
ChEMBL ID
CHEMBL1091643
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: PT00980, Aurora kinase A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 19 nM
   TI
   LI
   LO
   TS