General Information of the Compound
| Compound ID |
CP0511940
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| Compound Name |
1-propylsulfonyl-4-[2-(1-propylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridine
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| Structure |
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| Formula |
C24H36N2O5S2
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| Molecular Weight |
496.695
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CC1)C1Cc2cc(ccc2O1)C1=CCN(CC1)S(=O)(=O)CCC
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| InChI |
InChI=1S/C24H36N2O5S2/c1-3-15-32(27,28)25-11-7-19(8-12-25)21-5-6-23-22(17-21)18-24(31-23)20-9-13-26(14-10-20)33(29,30)16-4-2/h5-7,17,20,24H,3-4,8-16,18H2,1-2H3
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| InChIKey |
ZPBFFPBCFJFRPJ-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