General Information of the Compound
| Compound ID |
CP0419632
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| Compound Name |
US10300060, Example 21-67
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| Structure |
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| Formula |
C33H27F3N8O2
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| Molecular Weight |
624.627
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| Canonical SMILES |
CCNc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccc(C)c5)C(F)(F)F)cn4)cc3)c2n1
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| InChI |
InChI=1S/C33H27F3N8O2/c1-3-37-29-13-14-44-30(43-29)27(19-40-44)21-7-10-25(11-8-21)46-32-38-17-24(18-39-32)41-31(45)42-28-16-23(33(34,35)36)9-12-26(28)22-6-4-5-20(2)15-22/h4-19H,3H2,1-2H3,(H,37,43)(H2,41,42,45)
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| InChIKey |
GBAMXTSXBYEWGV-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