General Information of the Compound
| Compound ID |
CP0536146
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| Compound Name |
US8716285, 1
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| Structure |
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| Formula |
C17H17FN2O2
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| Molecular Weight |
300.333
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| Canonical SMILES |
ONC(=O)c1ccc2CCC(Cc2c1)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C17H17FN2O2/c18-14-4-7-15(8-5-14)19-16-6-3-11-1-2-12(17(21)20-22)9-13(11)10-16/h1-2,4-5,7-9,16,19,22H,3,6,10H2,(H,20,21)
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| InChIKey |
ZDMFHFPYBPYLCX-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