General Information of the Compound
| Compound ID |
CP0465839
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| Compound Name |
US9434711, 706
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| Structure |
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| Formula |
C21H18BrN3O3S3
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| Molecular Weight |
536.498
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| Canonical SMILES |
Brc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1ccc(cc1)-c1nsc(=O)[nH]1
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| InChI |
InChI=1S/C21H18BrN3O3S3/c22-18-16-3-1-2-4-17(16)29-20(18)25(12-11-13-5-6-13)31(27,28)15-9-7-14(8-10-15)19-23-21(26)30-24-19/h1-4,7-10,13H,5-6,11-12H2,(H,23,24,26)
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| InChIKey |
LCZFNCLDDJEYSO-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