General Information of the Compound
| Compound ID |
CP0518979
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| Compound Name |
US9200001, 109
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| Structure |
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| Formula |
C20H18F3N7
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| Molecular Weight |
413.407
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(n1)C(F)(F)F)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C20H18F3N7/c1-10-24-11(2)30(28-10)17-9-15(26-19(27-17)20(21,22)23)12-8-13(12)18-25-14-6-4-5-7-16(14)29(18)3/h4-7,9,12-13H,8H2,1-3H3/t12-,13-/m0/s1
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| InChIKey |
LEWIUHWPAQQQJF-STQMWFEESA-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