General Information of the Compound
| Compound ID |
CP0511368
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| Compound Name |
1-(2-methoxyphenyl)-4-(3-phenyl-1H-pyrazol-5-ylsulfonyl)piperazine
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| Structure |
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| Formula |
C20H22N4O3S
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| Molecular Weight |
398.488
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc(n[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C20H22N4O3S/c1-27-19-10-6-5-9-18(19)23-11-13-24(14-12-23)28(25,26)20-15-17(21-22-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,22)
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| InChIKey |
SNAFYGOZWJDFEK-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