General Information of the Compound
| Compound ID |
CP0546006
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| Compound Name |
US9303015, 22a
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| Structure |
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| Formula |
C28H17F3N6O2
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| Molecular Weight |
526.478
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| Canonical SMILES |
Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(C#N)c(Oc3ccccc3)c(C#N)c2c1
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| InChI |
InChI=1S/C28H17F3N6O2/c1-37-16-34-15-25(37)27(38,18-8-10-24(35-14-18)28(29,30)31)17-7-9-22-20(11-17)21(12-32)26(23(13-33)36-22)39-19-5-3-2-4-6-19/h2-11,14-16,38H,1H3
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| InChIKey |
HOBABKIULJKSFW-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