General Information of the Compound
| Compound ID |
CP0480810
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| Compound Name |
US9434711, 230
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| Structure |
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| Formula |
C22H24BrNO4S2
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| Molecular Weight |
510.475
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| Canonical SMILES |
CCOC(=O)CCCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H24BrNO4S2/c1-2-28-20(25)15-7-4-10-16-24(30(26,27)17-11-5-3-6-12-17)22-21(23)18-13-8-9-14-19(18)29-22/h3,5-6,8-9,11-14H,2,4,7,10,15-16H2,1H3
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| InChIKey |
MXAOAOBVSLKLEO-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