General Information of the Compound
| Compound ID |
CP0457165
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| Compound Name |
1-methyl-3-[1-(2-methylphenyl)piperidin-4-yl]-1-(1-methylsulfonylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C20H32N4O3S
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| Molecular Weight |
408.568
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| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1C
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| InChI |
InChI=1S/C20H32N4O3S/c1-16-6-4-5-7-19(16)23-12-8-17(9-13-23)21-20(25)22(2)18-10-14-24(15-11-18)28(3,26)27/h4-7,17-18H,8-15H2,1-3H3,(H,21,25)
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| InChIKey |
ZMJVRHCNVHFVCN-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