General Information of the Compound
| Compound ID |
CP0480207
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| Compound Name |
US11168089, Ex. No. 15
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| Structure |
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| Formula |
C20H10F3N7O
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| Molecular Weight |
421.342
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| Canonical SMILES |
Nc1nc(-c2cccc(C#N)c2F)c(C#N)c2nc(nn12)C(O)c1c(F)cccc1F
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| InChI |
InChI=1S/C20H10F3N7O/c21-12-5-2-6-13(22)14(12)17(31)18-28-19-11(8-25)16(27-20(26)30(19)29-18)10-4-1-3-9(7-24)15(10)23/h1-6,17,31H,(H2,26,27)
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| InChIKey |
VLLMDXWWQMNKSI-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