General Information of the Compound
| Compound ID |
CP0526387
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| Compound Name |
US9012651, 73
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| Structure |
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| Formula |
C17H19F4N3O
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| Molecular Weight |
357.351
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C17H19F4N3O/c1-10(2)16(9-25)23-8-15-12(18)4-6-14(24-15)13-5-3-11(7-22-13)17(19,20)21/h3-7,10,16,23,25H,8-9H2,1-2H3/t16-/m0/s1
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| InChIKey |
UXCBNHIUNRZNAA-INIZCTEOSA-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