General Information of the Compound
| Compound ID |
CP0511334
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| Compound Name |
3-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4,5,6,7-tetrahydro-1H-indazole
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| Structure |
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| Formula |
C20H19FN2O2S
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| Molecular Weight |
370.449
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1nc(c2CCCCc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C20H19FN2O2S/c1-26(24,25)17-12-10-16(11-13-17)23-19-5-3-2-4-18(19)20(22-23)14-6-8-15(21)9-7-14/h6-13H,2-5H2,1H3
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| InChIKey |
XOWMWHDYXOHIHR-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