General Information of the Compound
| Compound ID |
CP0443729
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| Compound Name |
US9012651, 216
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| Structure |
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| Formula |
C18H26F4N2O
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| Molecular Weight |
362.411
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H26F4N2O/c1-11(2)17(10-25)23-9-16-14(19)7-8-15(24-16)12-3-5-13(6-4-12)18(20,21)22/h7-8,11-13,17,23,25H,3-6,9-10H2,1-2H3/t12?,13?,17-/m0/s1
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| InChIKey |
JOWFKFXTPBDYEY-FVKWTLKZSA-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