General Information of the Compound
| Compound ID |
CP0949754
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| Compound Name |
US9067935, 121
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| Structure |
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| Formula |
C23H16F5N3O4S
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| Molecular Weight |
525.455
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| Canonical SMILES |
Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc2ccc(F)cn12
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| InChI |
InChI=1S/C23H16F5N3O4S/c1-13-21(29-20-9-5-16(24)12-30(13)20)31(11-14-2-8-19(25)18(10-14)23(26,27)28)36(34,35)17-6-3-15(4-7-17)22(32)33/h2-10,12H,11H2,1H3,(H,32,33)
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| InChIKey |
AQRFJHRZZQPLJH-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