General Information of the Compound
| Compound ID |
CP0043316
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| Compound Name |
3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C23H26N6O2S
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| Molecular Weight |
450.568
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| Canonical SMILES |
Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1NC1CCCCC1
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| InChI |
InChI=1S/C23H26N6O2S/c1-29-14-16(13-25-29)19-11-22-20(12-21(19)26-17-7-3-2-4-8-17)23(28-27-22)15-6-5-9-18(10-15)32(24,30)31/h5-6,9-14,17,26H,2-4,7-8H2,1H3,(H,27,28)(H2,24,30,31)
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| InChIKey |
PUJKNBHSGMNWBW-UHFFFAOYSA-N
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| Physicochemical Property |
"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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01348, Dual specificity protein kinase TTK
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 152 nM
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