General Information of the Compound
| Compound ID |
CP0404976
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| Compound Name |
US10300060, Example 22-34
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| Structure |
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| Formula |
C31H23F3N8O3
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| Molecular Weight |
612.572
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| Canonical SMILES |
CCOc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)n2n1
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| InChI |
InChI=1S/C31H23F3N8O3/c1-2-44-28-12-11-27-36-18-26(42(27)41-28)19-5-8-23(9-6-19)45-30-37-16-22(17-38-30)39-29(43)40-25-14-21(31(32,33)34)7-10-24(25)20-4-3-13-35-15-20/h3-18H,2H2,1H3,(H2,39,40,43)
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| InChIKey |
BOOMKAMRBDPHAG-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