General Information of the Compound
| Compound ID |
CP0549876
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| Compound Name |
US9012651, 266
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| Structure |
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| Formula |
C18H20ClFN2O
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| Molecular Weight |
334.822
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| Canonical SMILES |
OCC1(CCCC1)NCc1cccc(n1)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H20ClFN2O/c19-15-10-13(6-7-16(15)20)17-5-3-4-14(22-17)11-21-18(12-23)8-1-2-9-18/h3-7,10,21,23H,1-2,8-9,11-12H2
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| InChIKey |
UWKWCHBDUIZSPN-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