General Information of the Compound
| Compound ID |
CP0518172
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| Compound Name |
US9278960, 2-36
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| Structure |
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| Formula |
C21H16FN3O
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| Molecular Weight |
345.377
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| Canonical SMILES |
Fc1ccc(cc1)-c1cc(nc2cc(CN3CCCC3=O)ccc12)C#N
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| InChI |
InChI=1S/C21H16FN3O/c22-16-6-4-15(5-7-16)19-11-17(12-23)24-20-10-14(3-8-18(19)20)13-25-9-1-2-21(25)26/h3-8,10-11H,1-2,9,13H2
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| InChIKey |
JEZANMKGEOPWEV-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