General Information of the Compound
Compound ID
CP0633765
Compound Name
2-(3-hydroxyphenylamino)-N-(6H-thiazolo[5,4-e]indazol-2-yl)acetamide
    Show/Hide
Structure
Formula
C16H13N5O2S
Molecular Weight
339.38
Canonical SMILES
O=C(CNc1cccc(O)c1)Nc1nc2ccc3[nH]ncc3c2s1
    Show/Hide
InChI
InChI=1S/C16H13N5O2S/c22-10-3-1-2-9(6-10)17-8-14(23)20-16-19-13-5-4-12-11(7-18-21-12)15(13)24-16/h1-7,17,22H,8H2,(H,18,21)(H,19,20,23)
    Show/Hide
InChIKey
ODBLPALGDXNFKK-UHFFFAOYSA-N
Physicochemical Property
logP
2.9288
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
102.93
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24769300
SID: 49690603
ChEMBL ID
CHEMBL3717170
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
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 148 nM
   TI
   LI
   LO
   TS