General Information of the Compound
Compound ID
CP0153938
Compound Name
3-[5-cyclohexyloxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
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Structure
Formula
C23H25N5O3S
Molecular Weight
451.552
Canonical SMILES
Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1OC1CCCCC1
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InChI
InChI=1S/C23H25N5O3S/c1-28-14-16(13-25-28)19-11-21-20(12-22(19)31-17-7-3-2-4-8-17)23(27-26-21)15-6-5-9-18(10-15)32(24,29)30/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,26,27)(H2,24,29,30)
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InChIKey
GMIIXDTZSKOUIW-UHFFFAOYSA-N
Physicochemical Property
logP
3.9893
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
115.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 54675542
SID: 131472253
ChEMBL ID
CHEMBL2380585
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: PT01348, Dual specificity protein kinase TTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000897 RERF-LC-AI Tet-off Homo sapiens (Human)  1
1
IC50 = 74 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.93 nM