General Information of the Compound
| Compound ID |
CP0010564
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| Compound Name |
US9745291, Compound 40
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
OC(CNC(=O)COc1ccccc1C1CCCCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H34N2O3/c29-23(18-28-15-14-20-8-4-5-11-22(20)17-28)16-27-26(30)19-31-25-13-7-6-12-24(25)21-9-2-1-3-10-21/h4-8,11-13,21,23,29H,1-3,9-10,14-19H2,(H,27,30)
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| InChIKey |
QLWOOPGULQKKFQ-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