General Information of the Compound
| Compound ID |
CP0471119
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| Compound Name |
(4-benzylpyrimidin-5-yl)-(1-methylsulfonylpiperidin-4-yl)methanol
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| Structure |
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| Formula |
C18H23N3O3S
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| Molecular Weight |
361.467
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Cc1ccccc1
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| InChI |
InChI=1S/C18H23N3O3S/c1-25(23,24)21-9-7-15(8-10-21)18(22)16-12-19-13-20-17(16)11-14-5-3-2-4-6-14/h2-6,12-13,15,18,22H,7-11H2,1H3
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| InChIKey |
JKXBYIGLIGCLOH-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