General Information of the Compound
| Compound ID |
CP0556150
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| Compound Name |
US9365558, 15
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| Structure |
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| Formula |
C23H27F3N2O4S
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| Molecular Weight |
484.54
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| Canonical SMILES |
CCCCCCC#C[C@@]1(CC(=C(C(=O)NS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H27F3N2O4S/c1-4-5-6-7-8-9-14-22(23(24,25)26)15-18(17-12-10-16(2)11-13-17)19(20(29)27-22)21(30)28-33(3,31)32/h10-13H,4-8,15H2,1-3H3,(H,27,29)(H,28,30)/t22-/m1/s1
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| InChIKey |
VOASWVVJLMFAAS-JOCHJYFZSA-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