General Information of the Compound
| Compound ID |
CP0553930
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| Compound Name |
US9771320, Example 60
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| Structure |
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| Formula |
C28H22F7NO3S
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| Molecular Weight |
585.541
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1ccccc1C#N)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H22F7NO3S/c29-23-11-13-24(14-12-23)40(37,38)25(15-3-4-16-25)21-7-9-22(10-8-21)26(27(30,31)32,28(33,34)35)39-18-20-6-2-1-5-19(20)17-36/h1-2,5-14H,3-4,15-16,18H2
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| InChIKey |
SXDNMIOVAAUQPF-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2