General Information of the Compound
| Compound ID |
CP0536171
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| Compound Name |
3-[1-(3-chloro-4-fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C19H28ClFN4O3S
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| Molecular Weight |
446.976
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| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C19H28ClFN4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-18(21)17(20)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)
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| InChIKey |
QLLGDBSPFCBZLC-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