General Information of the Compound
| Compound ID |
CP0487352
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| Compound Name |
3-(1-methylpiperidin-4-yl)-5-(4-(trifluoromethyl)phenylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C20H20F3N3O2S
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| Molecular Weight |
423.46
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| Canonical SMILES |
CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N3O2S/c1-26-10-8-13(9-11-26)19-17-12-16(6-7-18(17)24-25-19)29(27,28)15-4-2-14(3-5-15)20(21,22)23/h2-7,12-13H,8-11H2,1H3,(H,24,25)
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| InChIKey |
WGKBZBJVYXQAGY-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