General Information of the Compound
| Compound ID |
CP0567723
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| Compound Name |
US9278960, 7-20-A
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| Structure |
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| Formula |
C21H20F4N4O3
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| Molecular Weight |
452.408
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| Canonical SMILES |
COC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCO[C@H](C3)C(F)(F)F)c(F)c2n1
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| InChI |
InChI=1S/C21H20F4N4O3/c1-28-9-13(8-26-28)15-7-16(20(30)31-2)27-19-14(15)4-3-12(18(19)22)10-29-5-6-32-17(11-29)21(23,24)25/h3-4,7-9,17H,5-6,10-11H2,1-2H3/t17-/m1/s1
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| InChIKey |
PDVVFJANSCEBDP-QGZVFWFLSA-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