General Information of the Compound
| Compound ID |
CP0537122
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| Compound Name |
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-2-yl-1H-indazol-5-amine
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| Structure |
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| Formula |
C20H17FN4O2S
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| Molecular Weight |
396.447
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| Canonical SMILES |
CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccccn3)c2c1
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| InChI |
InChI=1S/C20H17FN4O2S/c1-28(26,27)19-8-5-14(21)10-13(19)12-23-15-6-7-17-16(11-15)20(25-24-17)18-4-2-3-9-22-18/h2-11,23H,12H2,1H3,(H,24,25)
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| InChIKey |
BXULTAVLHMMZTJ-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