General Information of the Compound
| Compound ID |
CP0963834
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| Compound Name |
US9133168, Example 27b
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| Structure |
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| Formula |
C19H21FN4O4
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| Molecular Weight |
388.399
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| Canonical SMILES |
O=C(Cc1nc(N2CCOC(CO)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21
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| InChI |
InChI=1S/C19H21FN4O4/c20-14-2-1-3-15-13(14)4-5-24(15)19(27)8-16-21-17(9-18(26)22-16)23-6-7-28-12(10-23)11-25/h1-3,9,12,25H,4-8,10-11H2,(H,21,22,26)
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| InChIKey |
CPAKOWWGPKUEFW-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