General Information of the Compound
| Compound ID |
CP0539955
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| Compound Name |
US9212182, 784
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| Structure |
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| Formula |
C27H23N3O6S
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| Molecular Weight |
517.563
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| Canonical SMILES |
COc1cc(C)cc(c1)-c1ccc(c(OC)c1)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1
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| InChI |
InChI=1S/C27H23N3O6S/c1-17-12-20(14-21(13-17)34-2)18-4-7-24(25(16-18)35-3)30-23-8-6-22(15-19(23)5-9-27(30)31)37(32,33)29-26-10-11-36-28-26/h4-16H,1-3H3,(H,28,29)
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| InChIKey |
ILLIMWBOVDCNKI-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