General Information of the Compound
| Compound ID |
CP0537471
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| Compound Name |
US9278960, 4-131
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| Structure |
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| Formula |
C21H24FN5O
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| Molecular Weight |
381.455
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCCCC3CF)ccc12)C(N)=O
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| InChI |
InChI=1S/C21H24FN5O/c1-26-13-15(11-24-26)18-9-20(21(23)28)25-19-8-14(5-6-17(18)19)12-27-7-3-2-4-16(27)10-22/h5-6,8-9,11,13,16H,2-4,7,10,12H2,1H3,(H2,23,28)
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| InChIKey |
ITUOJNNMBMMLTR-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