General Information of the Compound
| Compound ID |
CP0447590
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| Compound Name |
furan-2-yl-[4-[[6-(4-propylsulfonylpiperazin-1-yl)pyridin-3-yl]oxymethyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C23H32N4O5S
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| Molecular Weight |
476.599
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)c2ccco2)cn1
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| InChI |
InChI=1S/C23H32N4O5S/c1-2-16-33(29,30)27-13-11-25(12-14-27)22-6-5-20(17-24-22)32-18-19-7-9-26(10-8-19)23(28)21-4-3-15-31-21/h3-6,15,17,19H,2,7-14,16,18H2,1H3
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| InChIKey |
JHFKKMFMYPSKOV-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