General Information of the Compound
| Compound ID |
CP0472335
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| Compound Name |
US9012651, 92
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| Structure |
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| Formula |
C16H24F3N3O
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| Molecular Weight |
331.382
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCC(F)(F)CC1
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| InChI |
InChI=1S/C16H24F3N3O/c1-11(2)14(10-23)20-9-13-12(17)3-4-15(21-13)22-7-5-16(18,19)6-8-22/h3-4,11,14,20,23H,5-10H2,1-2H3/t14-/m0/s1
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| InChIKey |
VVIMCKZVIGMOCM-AWEZNQCLSA-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