General Information of the Compound
| Compound ID |
CP0557510
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| Compound Name |
US10080744, Example 3/26
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| Structure |
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| Formula |
C28H32F6N4O5S2
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| Molecular Weight |
682.709
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| Canonical SMILES |
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
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| InChI |
InChI=1S/C28H32F6N4O5S2/c1-4-18(28(32,33)34)38-45(41,42)17-11-10-15(20(21(17)29)23(30)31)22-16(12-14-8-6-5-7-9-14)35-25(44-22)24-37-36-19(43-24)13-27(2,3)26(39)40/h10-11,14,18,23,38H,4-9,12-13H2,1-3H3,(H,39,40)/t18-/m0/s1
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| InChIKey |
ZHSFCHXKHOJYIG-SFHVURJKSA-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