General Information of the Compound
| Compound ID |
CP0556473
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| Compound Name |
US8993565, 98
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| Structure |
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| Formula |
C17H17F3N4O3
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| Molecular Weight |
382.342
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| Canonical SMILES |
Cn1c(CC(=O)Nc2cc(F)c(F)c(F)c2)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C17H17F3N4O3/c1-23-13(22-14(9-16(23)26)24-2-4-27-5-3-24)8-15(25)21-10-6-11(18)17(20)12(19)7-10/h6-7,9H,2-5,8H2,1H3,(H,21,25)
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| InChIKey |
ZTHHWULPWFUTMF-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