General Information of the Compound
| Compound ID |
CP0465832
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| Compound Name |
US9434711, 473
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| Structure |
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| Formula |
C20H22BrN3O3S2
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| Molecular Weight |
496.452
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| Canonical SMILES |
CCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(C\C(N)=N/O)cc1
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| InChI |
InChI=1S/C20H22BrN3O3S2/c1-2-3-12-24(20-19(21)16-6-4-5-7-17(16)28-20)29(26,27)15-10-8-14(9-11-15)13-18(22)23-25/h4-11,25H,2-3,12-13H2,1H3,(H2,22,23)
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| InChIKey |
PTUAUVHJKYAJMS-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