General Information of the Compound
| Compound ID |
CP0525736
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| Compound Name |
3-[1-(3,5-difluorophenyl)piperidin-4-yl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C21H32F2N4O3S
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| Molecular Weight |
458.575
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C21H32F2N4O3S/c1-3-12-31(29,30)27-10-6-19(7-11-27)25(2)21(28)24-18-4-8-26(9-5-18)20-14-16(22)13-17(23)15-20/h13-15,18-19H,3-12H2,1-2H3,(H,24,28)
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| InChIKey |
ZZSGJRBLEPZHBD-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