General Information of the Compound
| Compound ID |
CP0457166
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| Compound Name |
1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(1-pyridin-3-ylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C18H29N5O3S
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| Molecular Weight |
395.529
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| Canonical SMILES |
CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccnc1
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| InChI |
InChI=1S/C18H29N5O3S/c1-21(16-7-12-23(13-8-16)27(2,25)26)18(24)20-15-5-10-22(11-6-15)17-4-3-9-19-14-17/h3-4,9,14-16H,5-8,10-13H2,1-2H3,(H,20,24)
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| InChIKey |
CFCFJQZYDPXUKV-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