General Information of the Compound
| Compound ID |
CP0115369
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| Compound Name |
[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C26H29FN4O4S
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| Molecular Weight |
512.607
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(O)(CC1)c1ccccc1
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| InChI |
InChI=1S/C26H29FN4O4S/c1-36(34,35)31-15-13-30(14-16-31)25(32)22-18-28-23-8-7-20(27)17-21(23)24(22)29-11-9-26(33,10-12-29)19-5-3-2-4-6-19/h2-8,17-18,33H,9-16H2,1H3
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| InChIKey |
KSNYZQADVIKYIC-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