General Information of the Compound
| Compound ID |
CP0399576
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| Compound Name |
5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
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| Synonyms |
5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
CHEMBL1276926
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| Structure |
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| Formula |
C19H22N4O2S
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| Molecular Weight |
370.478
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C19H22N4O2S/c1-14-3-6-16(7-4-14)26(24,25)19-17-13-15(5-8-18(17)20-21-19)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,20,21)
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| InChIKey |
DAXBNFVWZYVXTC-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
Clinical Information about the Compound