General Information of the Compound
Compound ID
CP0545230
Compound Name
US8754233, 4-Benzothiazol-2-yl-1H-pyrazol-3-ylamine
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Structure
Formula
C10H8N4S
Molecular Weight
216.269
Canonical SMILES
Nc1[nH]ncc1-c1nc2ccccc2s1
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InChI
InChI=1S/C10H8N4S/c11-9-6(5-12-14-9)10-13-7-3-1-2-4-8(7)15-10/h1-5H,(H3,11,12,14)
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InChIKey
WJYXQGODMGVTKA-UHFFFAOYSA-N
Physicochemical Property
logP
2.2686
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
67.59
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 16785010
ChEMBL ID
CHEMBL3685679
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: PT04001, Integrin-linked protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS