General Information of the Compound
| Compound ID |
CP0560031
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| Compound Name |
US9365558, 35
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| Structure |
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| Formula |
C26H27F6N3O6S
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| Molecular Weight |
623.572
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| Canonical SMILES |
COc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)N(C)C)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H27F6N3O6S/c1-35(2)42(38,39)34-23(37)21-20(16-5-9-18(40-3)10-6-16)15-24(26(30,31)32,33-22(21)36)17-7-11-19(12-8-17)41-14-4-13-25(27,28)29/h5-12H,4,13-15H2,1-3H3,(H,33,36)(H,34,37)/t24-/m0/s1
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| InChIKey |
SJNHJWYJGGPMBT-DEOSSOPVSA-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