General Information of the Compound
| Compound ID |
CP0848871
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| Compound Name |
SID85201902
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| Structure |
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| Formula |
C21H17Br2Cl2NO3S
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| Molecular Weight |
594.152
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| Canonical SMILES |
Cc1c(CCOC(=O)c2ccc(Cl)cc2Cl)sc[n+]1CC(=O)c1ccc(Br)cc1.[Br-]
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| InChI |
InChI=1S/C21H17BrCl2NO3S.BrH/c1-13-20(8-9-28-21(27)17-7-6-16(23)10-18(17)24)29-12-25(13)11-19(26)14-2-4-15(22)5-3-14;/h2-7,10,12H,8-9,11H2,1H3;1H/q+1;/p-1
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| InChIKey |
GIODQUIJBXYVEN-UHFFFAOYSA-M
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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