General Information of the Compound
| Compound ID |
CP0529947
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| Compound Name |
US9242943, 12
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| Structure |
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| Formula |
C14H17F4N3O
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| Molecular Weight |
319.302
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(NCCC(F)(F)F)ccc1F
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| InChI |
InChI=1S/C14H17F4N3O/c1-13(8-22-7-12(19)21-13)10-6-9(2-3-11(10)15)20-5-4-14(16,17)18/h2-3,6,20H,4-5,7-8H2,1H3,(H2,19,21)/t13-/m0/s1
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| InChIKey |
YHBCCGYRJHZRIT-ZDUSSCGKSA-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