General Information of the Compound
| Compound ID |
CP0563394
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| Compound Name |
US9315498, 94
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| Structure |
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| Formula |
C19H16N2O3
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| Molecular Weight |
320.348
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| Canonical SMILES |
O=C1OC2COCCC2N1c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C19H16N2O3/c22-19-21(16-10-11-23-13-17(16)24-19)18-9-8-15(12-20-18)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,16-17H,10-11,13H2
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| InChIKey |
BQWBRNVXMLRZND-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