General Information of the Compound
| Compound ID |
CP0012862
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| Compound Name |
US9745291, Compound 78
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
O[C@H](CNC(=O)COc1ccccc1N1CCOCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H31N3O4/c28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27/h1-8,21,28H,9-18H2,(H,25,29)/t21-/m1/s1
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| InChIKey |
GDSFAPAOBYYWAC-OAQYLSRUSA-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