General Information of the Compound
| Compound ID |
CP0539986
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| Compound Name |
US10300060, Example 21-13
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| Structure |
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| Formula |
C29H19F3N8O2
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| Molecular Weight |
568.519
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| Canonical SMILES |
FC(F)(F)c1ccc(c(NC(=O)Nc2cnc(Oc3ccc(cc3)-c3cnn4cccnc34)nc2)c1)-c1cccnc1
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| InChI |
InChI=1S/C29H19F3N8O2/c30-29(31,32)20-6-9-23(19-3-1-10-33-14-19)25(13-20)39-27(41)38-21-15-35-28(36-16-21)42-22-7-4-18(5-8-22)24-17-37-40-12-2-11-34-26(24)40/h1-17H,(H2,38,39,41)
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| InChIKey |
LKVPVSYJCGEWCU-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