General Information of the Compound
| Compound ID |
CP0518956
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| Compound Name |
US9012651, 173
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| Structure |
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| Formula |
C17H18F3N3O
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| Molecular Weight |
337.345
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| Canonical SMILES |
O[C@@H]1CCC[C@@H]1NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F3N3O/c18-17(19,20)12-6-4-11(5-7-12)16-21-9-8-13(23-16)10-22-14-2-1-3-15(14)24/h4-9,14-15,22,24H,1-3,10H2/t14-,15+/m0/s1
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| InChIKey |
UTPBUDKCNWEFLD-LSDHHAIUSA-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