General Information of the Compound
| Compound ID |
CP0480812
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| Compound Name |
US9434711, 248
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| Structure |
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| Formula |
C20H22BrNO2S2
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| Molecular Weight |
452.439
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| Canonical SMILES |
CCCCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H22BrNO2S2/c1-2-3-4-10-15-22(26(23,24)16-11-6-5-7-12-16)20-19(21)17-13-8-9-14-18(17)25-20/h5-9,11-14H,2-4,10,15H2,1H3
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| InChIKey |
FKVLWRCNVFJCHB-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