General Information of the Compound
| Compound ID |
CP0540996
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| Compound Name |
US9067935, 42
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| Structure |
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| Formula |
C23H18BrF4N3O2S
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| Molecular Weight |
556.379
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| Canonical SMILES |
Cc1c(nc2cc(C)ccn12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C23H18BrF4N3O2S/c1-14-9-10-30-15(2)22(29-21(30)11-14)31(34(32,33)18-6-4-17(24)5-7-18)13-16-3-8-20(25)19(12-16)23(26,27)28/h3-12H,13H2,1-2H3
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| InChIKey |
KBEKTUBOURKEED-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