General Information of the Compound
| Compound ID |
CP0472837
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| Compound Name |
US9067935, 55
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| Structure |
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| Formula |
C24H18F7N3O2S
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| Molecular Weight |
545.48
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| Canonical SMILES |
CCc1c(nc2c(cccn12)C(F)(F)F)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H18F7N3O2S/c1-2-20-22(32-21-17(23(26,27)28)9-6-12-33(20)21)34(37(35,36)16-7-4-3-5-8-16)14-15-10-11-19(25)18(13-15)24(29,30)31/h3-13H,2,14H2,1H3
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| InChIKey |
VWSLRGORBFNLKA-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