General Information of the Compound
| Compound ID |
CP0540995
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| Compound Name |
US9067935, 33
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| Structure |
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| Formula |
C23H20F3N3O2S
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| Molecular Weight |
459.493
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| Canonical SMILES |
Cc1c(nc2c(C)cccn12)N(Cc1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H20F3N3O2S/c1-16-7-6-14-28-17(2)22(27-21(16)28)29(32(30,31)20-8-4-3-5-9-20)15-18-10-12-19(13-11-18)23(24,25)26/h3-14H,15H2,1-2H3
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| InChIKey |
XERXSOSLXMTUMV-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