General Information of the Compound
| Compound ID |
CP0564873
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| Compound Name |
US9266876, 226
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| Structure |
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| Formula |
C23H19F3N8OS
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| Molecular Weight |
512.521
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| Canonical SMILES |
FC(F)(F)c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN(CC1)C(=O)Cn1cnc2cccnc12
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| InChI |
InChI=1S/C23H19F3N8OS/c24-23(25,26)22-31-18(19-29-14-4-1-2-5-15(14)30-19)21(36-22)33-10-8-32(9-11-33)17(35)12-34-13-28-16-6-3-7-27-20(16)34/h1-7,13H,8-12H2,(H,29,30)
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| InChIKey |
FZRSFOKYQJRWAB-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