General Information of the Compound
| Compound ID |
CP0435109
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| Compound Name |
5-propyl-2-[4-[5-(1-propylsulfonylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]pyrimidine
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| Structure |
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| Formula |
C28H40N4O3S
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| Molecular Weight |
512.72
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| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)C1CCN(CC1)S(=O)(=O)CCC
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| InChI |
InChI=1S/C28H40N4O3S/c1-3-5-21-19-29-28(30-20-21)31-12-8-23(9-13-31)27-18-25-17-24(6-7-26(25)35-27)22-10-14-32(15-11-22)36(33,34)16-4-2/h6-7,17,19-20,22-23,27H,3-5,8-16,18H2,1-2H3
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| InChIKey |
VUSKVLRLUSEHMP-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