General Information of the Compound
| Compound ID |
CP0401857
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| Compound Name |
US10028961, Compound 14
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| Structure |
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| Formula |
C15H19F3N6O2
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| Molecular Weight |
372.351
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| Canonical SMILES |
CC(O)CNc1nc(NCC(C)O)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C15H19F3N6O2/c1-8(25)6-19-13-22-12(23-14(24-13)20-7-9(2)26)10-4-3-5-11(21-10)15(16,17)18/h3-5,8-9,25-26H,6-7H2,1-2H3,(H2,19,20,22,23,24)
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| InChIKey |
QYMUDBQWLSGBAS-UHFFFAOYSA-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