General Information of the Compound
| Compound ID |
CP0539059
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| Compound Name |
US9012651, 107
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| Structure |
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| Formula |
C19H22F4N2O
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| Molecular Weight |
370.39
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| Canonical SMILES |
CC(C)[C@@H](NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F)C(C)O
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| InChI |
InChI=1S/C19H22F4N2O/c1-11(2)18(12(3)26)24-10-17-15(20)8-9-16(25-17)13-4-6-14(7-5-13)19(21,22)23/h4-9,11-12,18,24,26H,10H2,1-3H3/t12?,18-/m1/s1
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| InChIKey |
VGVBWBRPZZTQOQ-VMHBGOFLSA-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