General Information of the Compound
| Compound ID |
CP0431804
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| Compound Name |
1-methyl-3-[1-(3-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)c1cccc(C)c1
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| InChI |
InChI=1S/C20H32N4O3S/c1-16-5-4-6-19(15-16)23-11-7-17(8-12-23)21-20(25)22(2)18-9-13-24(14-10-18)28(3,26)27/h4-6,15,17-18H,7-14H2,1-3H3,(H,21,25)
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| InChIKey |
HBVOPZSHIAEOOF-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