General Information of the Compound
| Compound ID |
CP0562354
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| Compound Name |
US9242977, 9
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| Structure |
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| Formula |
C31H22F6N8O3S
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| Molecular Weight |
700.625
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| Canonical SMILES |
FC(F)(F)c1cnc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc(s3)N3CCCCC3=O)nc2)c1)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C31H22F6N8O3S/c32-30(33,34)19-11-22(26(39-13-19)18-6-9-24(38-12-18)31(35,36)37)44-27(47)43-20-14-40-28(41-15-20)48-21-7-4-17(5-8-21)23-16-42-29(49-23)45-10-2-1-3-25(45)46/h4-9,11-16H,1-3,10H2,(H2,43,44,47)
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| InChIKey |
YHGCQMMSHUBAMT-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