General Information of the Compound
| Compound ID |
CP0010211
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| Compound Name |
US9745291, Compound 103
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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 |
OC(CNC(=O)COc1ccccc1C1CCNCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H33N3O3/c29-22(17-28-14-11-19-5-1-2-6-21(19)16-28)15-27-25(30)18-31-24-8-4-3-7-23(24)20-9-12-26-13-10-20/h1-8,20,22,26,29H,9-18H2,(H,27,30)
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| InChIKey |
KGDOUSKDMOUNIT-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