General Information of the Compound
| Compound ID |
CP0474961
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| Compound Name |
US9422235, 45
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| Structure |
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| Formula |
C22H27F3N2O4S
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| Molecular Weight |
472.529
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| Canonical SMILES |
CCCN(CC1CC1)S(=O)(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H27F3N2O4S/c1-4-11-27(14-15-5-6-15)32(28,29)21-10-7-16(12-18(21)22(23,24)25)26-19-9-8-17(30-2)13-20(19)31-3/h7-10,12-13,15,26H,4-6,11,14H2,1-3H3
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| InChIKey |
ODUHANKULOGTMK-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