General Information of the Compound
| Compound ID |
CP0066304
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| Compound Name |
3-[5-ethoxy-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C19H19N5O3S
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| Molecular Weight |
397.46
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| Canonical SMILES |
CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1cccc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)
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| InChIKey |
NKFDCMFJEHBWMX-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 = 1020 nM
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