General Information of the Compound
| Compound ID |
CP0495549
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| Compound Name |
US9409917, 10
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| Structure |
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| Formula |
C16H22N2O3
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| Molecular Weight |
290.363
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| Canonical SMILES |
OC1(CNC(=O)C2CCOc3ncccc23)CCCCC1
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| InChI |
InChI=1S/C16H22N2O3/c19-14(18-11-16(20)7-2-1-3-8-16)12-6-10-21-15-13(12)5-4-9-17-15/h4-5,9,12,20H,1-3,6-8,10-11H2,(H,18,19)
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| InChIKey |
QMNHSDVRJFYAOM-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