General Information of the Compound
| Compound ID |
CP0401514
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| Compound Name |
propan-2-yl 4-[5-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H36N2O5S
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| Molecular Weight |
476.639
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(CC1)C(=O)OC(C)C
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| InChI |
InChI=1S/C25H36N2O5S/c1-4-15-33(29,30)27-13-9-19(10-14-27)21-5-6-23-22(16-21)17-24(32-23)20-7-11-26(12-8-20)25(28)31-18(2)3/h5-6,9,16,18,20,24H,4,7-8,10-15,17H2,1-3H3
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| InChIKey |
IASOXBUPYJVERA-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