General Information of the Compound
| Compound ID |
CP0451365
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| Compound Name |
US9434711, 735
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| Structure |
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| Formula |
C25H21BrF3NO4S2
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| Molecular Weight |
600.478
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| Canonical SMILES |
CC(C)(O)c1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C25H21BrF3NO4S2/c1-24(2,31)22-20-5-3-4-6-21(20)35-23(22)30(36(32,33)19-13-9-17(26)10-14-19)15-16-7-11-18(12-8-16)34-25(27,28)29/h3-14,31H,15H2,1-2H3
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| InChIKey |
BGAAQUYIODZIJT-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