General Information of the Compound
| Compound ID |
CP0457163
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| Compound Name |
3-[1-(3-acetylphenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C21H32N4O4S
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| Molecular Weight |
436.578
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| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C21H32N4O4S/c1-16(26)17-5-4-6-20(15-17)24-11-7-18(8-12-24)22-21(27)23(2)19-9-13-25(14-10-19)30(3,28)29/h4-6,15,18-19H,7-14H2,1-3H3,(H,22,27)
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| InChIKey |
ZQGLVPVLNNTXIS-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