General Information of the Compound
| Compound ID |
CP0553788
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| Compound Name |
US8969325, 133
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| Structure |
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| Formula |
C19H18FN3O4
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| Molecular Weight |
371.368
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| Canonical SMILES |
Fc1ccc2OCC(CNC(=O)Nc3ccc4OCC(=O)Nc4c3)Cc2c1
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| InChI |
InChI=1S/C19H18FN3O4/c20-13-1-3-16-12(6-13)5-11(9-26-16)8-21-19(25)22-14-2-4-17-15(7-14)23-18(24)10-27-17/h1-4,6-7,11H,5,8-10H2,(H,23,24)(H2,21,22,25)
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| InChIKey |
QSJNONJRQGPINU-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