General Information of the Compound
| Compound ID |
CP0504425
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| Compound Name |
3-(3-Fluorophenylsulfonyl)-5-(4-methylpiperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C18H19FN4O2S
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| Molecular Weight |
374.441
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C18H19FN4O2S/c1-22-7-9-23(10-8-22)14-5-6-17-16(12-14)18(21-20-17)26(24,25)15-4-2-3-13(19)11-15/h2-6,11-12H,7-10H2,1H3,(H,20,21)
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| InChIKey |
VBHJSCJOUYCRKP-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