General Information of the Compound
| Compound ID |
CP0564328
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| Compound Name |
US9181249, 14
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| Structure |
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| Formula |
C26H36F2N6O2
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| Molecular Weight |
502.61
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| Canonical SMILES |
CC(C)Nc1nc2CN(CN3CCOCC3)CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F
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| InChI |
InChI=1S/C26H36F2N6O2/c1-18(2)29-25-26(34-9-5-20(6-10-34)36-24-4-3-19(27)15-21(24)28)31-22-7-8-33(16-23(22)30-25)17-32-11-13-35-14-12-32/h3-4,15,18,20H,5-14,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
AHDDMTURJWVYRT-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