General Information of the Compound
| Compound ID |
CP0565675
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| Compound Name |
US9012651, 123
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| Structure |
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| Formula |
C18H19F4N3O
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| Molecular Weight |
369.362
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| Canonical SMILES |
O[C@@H]1CCCC[C@@H]1NCc1nc(ccc1F)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C18H19F4N3O/c19-12-6-7-13(11-5-8-17(24-9-11)18(20,21)22)25-15(12)10-23-14-3-1-2-4-16(14)26/h5-9,14,16,23,26H,1-4,10H2/t14-,16+/m0/s1
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| InChIKey |
WBPXIZGHZJSPSC-GOEBONIOSA-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