General Information of the Compound
| Compound ID |
CP0531939
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| Compound Name |
4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethoxy]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H45N3O5S
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| Molecular Weight |
523.74
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| Canonical SMILES |
COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CC1)C1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C27H45N3O5S/c1-20(2)29-11-7-23(8-12-29)24-9-13-30(14-10-24)26(31)19-35-16-15-28(5)36(32,33)27-21(3)17-25(34-6)18-22(27)4/h17-18,20,23-24H,7-16,19H2,1-6H3
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| InChIKey |
JZLHLOGTQFLDMU-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