General Information of the Compound
| Compound ID |
CP0517256
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| Compound Name |
US9409917, 8
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| Structure |
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| Formula |
C17H24N2O3
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| Molecular Weight |
304.39
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| Canonical SMILES |
OC[C@@H](NC(=O)[C@H]1CCOc2ncccc12)C1CCCCC1
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| InChI |
InChI=1S/C17H24N2O3/c20-11-15(12-5-2-1-3-6-12)19-16(21)13-8-10-22-17-14(13)7-4-9-18-17/h4,7,9,12-13,15,20H,1-3,5-6,8,10-11H2,(H,19,21)/t13-,15+/m0/s1
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| InChIKey |
DISGODOQECPEBV-DZGCQCFKSA-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