General Information of the Compound
| Compound ID |
CP0569410
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| Compound Name |
US10300060, Example 23-3
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| Structure |
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| Formula |
C28H19F3N8O2
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| Molecular Weight |
556.508
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| Canonical SMILES |
FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnc4ccccn34)nc2)c1)-n1cccn1
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| InChI |
InChI=1S/C28H19F3N8O2/c29-28(30,31)19-7-10-23(39-13-3-11-35-39)22(14-19)37-26(40)36-20-15-33-27(34-16-20)41-21-8-5-18(6-9-21)24-17-32-25-4-1-2-12-38(24)25/h1-17H,(H2,36,37,40)
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| InChIKey |
LJDUOVKERPLAFH-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