General Information of the Compound
| Compound ID |
CP0575418
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| Compound Name |
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-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(-c3cccnc3)c2c1
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| InChI |
InChI=1S/C20H17FN4O2S/c1-28(26,27)19-7-4-15(21)9-14(19)12-23-16-5-6-18-17(10-16)20(25-24-18)13-3-2-8-22-11-13/h2-11,23H,12H2,1H3,(H,24,25)
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| InChIKey |
ZOXMAFNUVOAGHQ-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