General Information of the Compound
| Compound ID |
CP0569378
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| Compound Name |
US10300060, Example 23-11
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| Structure |
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| Formula |
C30H20F3N7O2
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| Molecular Weight |
567.531
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| Canonical SMILES |
FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnn4ccccc34)nc2)c1)-c1cccnc1
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| InChI |
InChI=1S/C30H20F3N7O2/c31-30(32,33)21-8-11-24(20-4-3-12-34-15-20)26(14-21)39-28(41)38-22-16-35-29(36-17-22)42-23-9-6-19(7-10-23)25-18-37-40-13-2-1-5-27(25)40/h1-18H,(H2,38,39,41)
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| InChIKey |
AYRQOTSQNQJSFL-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