General Information of the Compound
| Compound ID |
CP0563993
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| Compound Name |
US11447477, Compound 9
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| Structure |
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| Formula |
C14H17BrFN7O4S
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| Molecular Weight |
478.304
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| Canonical SMILES |
NS(=O)(=O)N1CC[C@H](CNc2nonc2C(Nc2ccc(F)c(Br)c2)=NO)C1
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| InChI |
InChI=1S/C14H17BrFN7O4S/c15-10-5-9(1-2-11(10)16)19-14(20-24)12-13(22-27-21-12)18-6-8-3-4-23(7-8)28(17,25)26/h1-2,5,8,24H,3-4,6-7H2,(H,18,22)(H,19,20)(H2,17,25,26)/t8-/m1/s1
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| InChIKey |
PTMVAXIURPPRBZ-MRVPVSSYSA-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