General Information of the Compound
| Compound ID |
CP0540993
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| Compound Name |
US9067935, 20
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| Structure |
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| Formula |
C22H16F5N3O2S
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| Molecular Weight |
481.446
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| Canonical SMILES |
Cc1c(nc2ccc(F)cn12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H16F5N3O2S/c1-14-21(28-20-10-8-16(23)13-29(14)20)30(33(31,32)17-5-3-2-4-6-17)12-15-7-9-19(24)18(11-15)22(25,26)27/h2-11,13H,12H2,1H3
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| InChIKey |
OWQBUGMFILNLCH-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