General Information of the Compound
| Compound ID |
CP0551747
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| Compound Name |
N-(13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)methanesulfonamide
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| Structure |
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| Formula |
C21H31N3O6S
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| Molecular Weight |
453.561
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| Canonical SMILES |
CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(OCCOC(=O)N12)n3
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| InChI |
InChI=1S/C21H31N3O6S/c1-14-12-18(23-31(2,26)27)19-13-30-16-8-6-15(7-9-16)17-4-3-5-20(22-17)28-10-11-29-21(25)24(14)19/h3-5,14-16,18-19,23H,6-13H2,1-2H3
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| InChIKey |
WVFXYDZOGYLDMS-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