General Information of the Compound
| Compound ID |
CP0423336
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| Compound Name |
US9012651, 246
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| Structure |
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| Formula |
C17H18F4N2O
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| Molecular Weight |
342.336
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C17H18F4N2O/c1-9(2)17(8-24)22-7-16-11(18)3-4-15(23-16)10-5-13(20)14(21)6-12(10)19/h3-6,9,17,22,24H,7-8H2,1-2H3/t17-/m0/s1
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| InChIKey |
VZGPNRISHCVYQJ-KRWDZBQOSA-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