General Information of the Compound
| Compound ID |
CP0474773
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| Compound Name |
US9434711, 436
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| Structure |
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| Formula |
C21H23NO7S2
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| Molecular Weight |
465.549
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| Canonical SMILES |
CCCCN(C1=C(OC)c2ccccc2S1(=O)=O)S(=O)(=O)c1ccc(cc1)C(=O)OC
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| InChI |
InChI=1S/C21H23NO7S2/c1-4-5-14-22(31(26,27)16-12-10-15(11-13-16)21(23)29-3)20-19(28-2)17-8-6-7-9-18(17)30(20,24)25/h6-13H,4-5,14H2,1-3H3
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| InChIKey |
CPOBSIMSRSONJF-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