General Information of the Compound
| Compound ID |
CP0555613
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| Compound Name |
US8993565, 93
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| Structure |
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| Formula |
C17H18FIN4O3
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| Molecular Weight |
472.258
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| Canonical SMILES |
Cn1c(CC(=O)Nc2ccc(F)c(I)c2)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C17H18FIN4O3/c1-22-14(9-16(24)20-11-2-3-12(18)13(19)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
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| InChIKey |
QUVMANTUEJVZFV-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