General Information of the Compound
| Compound ID |
CP0484036
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| Compound Name |
US9012651, 121
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| Structure |
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| Formula |
C16H17F4N3O2
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| Molecular Weight |
359.323
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| Canonical SMILES |
C[C@@H](O)[C@@H](CO)NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C16H17F4N3O2/c1-9(25)14(8-24)21-7-13-11(17)3-4-12(23-13)10-2-5-15(22-6-10)16(18,19)20/h2-6,9,14,21,24-25H,7-8H2,1H3/t9-,14-/m1/s1
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| InChIKey |
JGHJKLPPLPRETF-YMTOWFKASA-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