General Information of the Compound
| Compound ID |
CP0578208
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| Compound Name |
US10300060, Example 21-75
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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 |
CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5ccccc5C)C(F)(F)F)cn4)cc3)c2n1
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| InChI |
InChI=1S/C33H27F3N8O2/c1-20-6-4-5-7-25(20)26-13-10-22(33(34,35)36)16-28(26)41-31(45)40-23-17-37-32(38-18-23)46-24-11-8-21(9-12-24)27-19-39-44-15-14-29(43(2)3)42-30(27)44/h4-19H,1-3H3,(H2,40,41,45)
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| InChIKey |
UYWQHKWNLPQAMN-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