General Information of the Compound
| Compound ID |
CP0516277
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| Compound Name |
US9163015, 38
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| Structure |
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| Formula |
C20H12ClF3N4O
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| Molecular Weight |
416.79
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
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| InChI |
InChI=1S/C20H12ClF3N4O/c21-15-10-13(26-19-17-16(27-28-19)5-2-8-25-17)6-7-14(15)18(29)11-3-1-4-12(9-11)20(22,23)24/h1-10H,(H2,26,27,28)
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| InChIKey |
VFWHRLINFIBILX-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