General Information of the Compound
| Compound ID |
CP0264792
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| Compound Name |
US9340555, 57
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| Structure |
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| Formula |
C28H26F2N4O5S
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| Molecular Weight |
568.602
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| Canonical SMILES |
CCOC(=O)CCCNC(=O)c1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)c2s1
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| InChI |
InChI=1S/C28H26F2N4O5S/c1-3-38-25(35)5-4-11-32-27(36)24-15-22-26(40-24)23(10-12-31-22)39-17-7-9-20(19(30)14-17)33-28(37)34-21-13-16(2)6-8-18(21)29/h6-10,12-15H,3-5,11H2,1-2H3,(H,32,36)(H2,33,34,37)
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| InChIKey |
IKVZCSGUEDRZOZ-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