General Information of the Compound
| Compound ID |
CP0462620
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| Compound Name |
US9012651, 115
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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@@H](NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F)C(C)O
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| InChI |
InChI=1S/C17H19F4N3O/c1-3-13(10(2)25)22-9-15-12(18)5-6-14(24-15)11-4-7-16(23-8-11)17(19,20)21/h4-8,10,13,22,25H,3,9H2,1-2H3/t10?,13-/m1/s1
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| InChIKey |
OLJXCSWLXLONEA-JLOHTSLTSA-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