General Information of the Compound
| Compound ID |
CP0520665
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| Compound Name |
US8802663, 23
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| Structure |
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| Formula |
C22H19F2N5O
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| Molecular Weight |
407.424
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| Canonical SMILES |
Fc1ccc(F)c(c1)-c1noc(n1)-c1cnn(C2CCCCC2)c1-c1ccncc1
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| InChI |
InChI=1S/C22H19F2N5O/c23-15-6-7-19(24)17(12-15)21-27-22(30-28-21)18-13-26-29(16-4-2-1-3-5-16)20(18)14-8-10-25-11-9-14/h6-13,16H,1-5H2
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| InChIKey |
PNRGSQSITMFEIL-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