General Information of the Compound
| Compound ID |
CP0479338
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| Compound Name |
US9133168, Example 39d
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| Structure |
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)n1-c1ccccc1)N1CCOCC1)N1CCc2ccccc12
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| InChI |
InChI=1S/C24H24N4O3/c29-23(27-11-10-18-6-4-5-9-20(18)27)17-22-25-21(26-12-14-31-15-13-26)16-24(30)28(22)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2
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| InChIKey |
IUALSQPOYDCZRS-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