General Information of the Compound
| Compound ID |
CP0576942
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| Compound Name |
US10300060, Example 22-9
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| Structure |
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| Formula |
C28H20F3N9O3
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| Molecular Weight |
587.522
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| Canonical SMILES |
COc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-n5cccn5)C(F)(F)F)cn4)cc3)n2n1
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| InChI |
InChI=1S/C28H20F3N9O3/c1-42-25-10-9-24-32-16-23(40(24)38-25)17-3-6-20(7-4-17)43-27-33-14-19(15-34-27)36-26(41)37-21-13-18(28(29,30)31)5-8-22(21)39-12-2-11-35-39/h2-16H,1H3,(H2,36,37,41)
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| InChIKey |
WLMBKUHIVMISJJ-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