General Information of the Compound
| Compound ID |
CP0565194
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| Compound Name |
US8791272, 7.18
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| Structure |
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| Formula |
C21H18Cl2FN3O3
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| Molecular Weight |
450.297
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| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2F)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H18Cl2FN3O3/c1-11-16(9-20(28)29)12(2)27(26-11)10-14-3-5-15(8-19(14)24)25-21(30)13-4-6-17(22)18(23)7-13/h3-8H,9-10H2,1-2H3,(H,25,30)(H,28,29)
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| InChIKey |
NUNQBDKAIYBWAN-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