General Information of the Compound
| Compound ID |
CP0561468
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| Compound Name |
US10584134, Example 2-4
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| Structure |
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| Formula |
C14H16N4O2
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| Molecular Weight |
272.308
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| Canonical SMILES |
COc1cnc(nc1N1CCOCC1)-c1ccccn1
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| InChI |
InChI=1S/C14H16N4O2/c1-19-12-10-16-13(11-4-2-3-5-15-11)17-14(12)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3
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| InChIKey |
ZCWRFOGZHHEQRW-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