General Information of the Compound
| Compound ID |
CP0409255
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| Compound Name |
US9365558, 64
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| Structure |
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| Formula |
C25H24F6N2O5S2
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| Molecular Weight |
610.598
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(s1)C1CC1
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| InChI |
InChI=1S/C25H24F6N2O5S2/c1-40(36,37)33-22(35)20-17(19-10-9-18(39-19)14-3-4-14)13-23(25(29,30)31,32-21(20)34)15-5-7-16(8-6-15)38-12-2-11-24(26,27)28/h5-10,14H,2-4,11-13H2,1H3,(H,32,34)(H,33,35)/t23-/m0/s1
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| InChIKey |
NJJYTFKHJWHQNK-QHCPKHFHSA-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