General Information of the Compound
| Compound ID |
CP0014987
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| Compound Name |
US10307413, Compound 40
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
Cc1c(NC2CCOCC2)cccc1C(=O)NCC(O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H33N3O3/c1-18-23(7-4-8-24(18)27-21-10-13-31-14-11-21)25(30)26-15-22(29)17-28-12-9-19-5-2-3-6-20(19)16-28/h2-8,21-22,27,29H,9-17H2,1H3,(H,26,30)
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| InChIKey |
ROLLATFNHJSZMI-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