General Information of the Compound
| Compound ID |
CP0473731
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| Compound Name |
US10028961, Compound 335
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| Structure |
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| Formula |
C15H13F9N6
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| Molecular Weight |
448.293
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H13F9N6/c1-6(13(16,17)18)25-11-28-10(8-4-3-5-9(27-8)15(22,23)24)29-12(30-11)26-7(2)14(19,20)21/h3-7H,1-2H3,(H2,25,26,28,29,30)/t6-,7-/m1/s1
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| InChIKey |
QTNDXEZBEFRYER-RNFRBKRXSA-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