General Information of the Compound
| Compound ID |
CP0494871
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| Compound Name |
US9422235, 30
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| Structure |
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| Formula |
C24H20F3N3O4S
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| Molecular Weight |
503.502
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| Canonical SMILES |
COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)Nc2cccc3cnccc23)cc(OC)c1
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| InChI |
InChI=1S/C24H20F3N3O4S/c1-33-18-10-17(11-19(13-18)34-2)29-16-6-7-23(21(12-16)24(25,26)27)35(31,32)30-22-5-3-4-15-14-28-9-8-20(15)22/h3-14,29-30H,1-2H3
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| InChIKey |
ORJKCDVNMFPFJD-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