General Information of the Compound
| Compound ID |
CP0572313
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| Compound Name |
US9434711, 397
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| Structure |
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| Formula |
C22H24BrNO5S2
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| Molecular Weight |
526.474
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| Canonical SMILES |
CC(C)(C)OCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H24BrNO5S2/c1-22(2,3)29-14-6-13-24(20-19(23)17-7-4-5-8-18(17)30-20)31(27,28)16-11-9-15(10-12-16)21(25)26/h4-5,7-12H,6,13-14H2,1-3H3,(H,25,26)
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| InChIKey |
WPZZWCGATSUVPI-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