General Information of the Compound
Compound ID |
CP0697060
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Compound Name |
US9073922, 219
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Structure |
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Formula |
C21H19FN2O3
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Molecular Weight |
366.392
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Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)O)CC3)cc12
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InChI |
InChI=1S/C21H19FN2O3/c1-27-19-7-6-14(22)10-16(19)15-8-9-23-20-17(15)11-18(24-20)12-2-4-13(5-3-12)21(25)26/h2,6-11,13H,3-5H2,1H3,(H,23,24)(H,25,26)
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InChIKey |
DPGRHRYLFMBPHK-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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