General Information of the Compound
| Compound ID |
CP0564750
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| Compound Name |
US9771320, Example 57
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| Structure |
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| Formula |
C28H25F7O3S
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| Molecular Weight |
574.558
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| Canonical SMILES |
Cc1ccccc1COC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H25F7O3S/c1-19-6-2-3-7-20(19)18-38-26(27(30,31)32,28(33,34)35)22-10-8-21(9-11-22)25(16-4-5-17-25)39(36,37)24-14-12-23(29)13-15-24/h2-3,6-15H,4-5,16-18H2,1H3
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| InChIKey |
JQRLHKYSZJBRMY-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