General Information of the Compound
Compound ID
CP0376394
Compound Name
1-phenyl-N-(3-styryl-1H-indazol-5-yl)methanesulfonamide
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Structure
Formula
C22H19N3O2S
Molecular Weight
389.48
Canonical SMILES
O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1
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InChI
InChI=1S/C22H19N3O2S/c26-28(27,16-18-9-5-2-6-10-18)25-19-12-14-22-20(15-19)21(23-24-22)13-11-17-7-3-1-4-8-17/h1-15,25H,16H2,(H,23,24)/b13-11+
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InChIKey
GCKBOFRETXSMFP-ACCUITESSA-N
Physicochemical Property
logP
4.6752
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 46886393
ChEMBL ID
CHEMBL1093514
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 = 35 nM
   TI
   LI
   LO
   TS
Protein ID: PT01223, Aurora kinase B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 31 nM
   TI
   LI
   LO
   TS