General Information of the Compound
| Compound ID |
CP0364715
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| Compound Name |
(1S,2R,4S,7E,11S,12R)-12-[[2-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]ethyl-methylamino]methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
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| Formula |
C26H33N3O8S
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| Molecular Weight |
547.63
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| Canonical SMILES |
CN(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C[C@H]1[C@@H]2CC\C(C)=C\CC[C@]3(C)O[C@@H]3[C@H]2OC1=O
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| InChI |
InChI=1S/C26H33N3O8S/c1-17-8-7-13-26(2)22(36-26)21-19(12-11-17)20(25(30)35-21)16-28(3)14-15-34-23-24(29(31)37-27-23)38(32,33)18-9-5-4-6-10-18/h4-6,8-10,19-22H,7,11-16H2,1-3H3/b17-8+/t19-,20-,21-,22+,26-/m0/s1
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| InChIKey |
VWPQCNJBCSDUMZ-WWPQYXCNSA-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