General Information of the Compound
| Compound ID |
CP0414519
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| Compound Name |
US9409917, 52
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| Structure |
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| Formula |
C18H26N2O3
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| Molecular Weight |
318.417
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| Canonical SMILES |
OCC(NC(=O)C1CCOc2ncccc12)C1CCCCCC1
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| InChI |
InChI=1S/C18H26N2O3/c21-12-16(13-6-3-1-2-4-7-13)20-17(22)14-9-11-23-18-15(14)8-5-10-19-18/h5,8,10,13-14,16,21H,1-4,6-7,9,11-12H2,(H,20,22)
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| InChIKey |
NHBSEELJPOLMEY-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