General Information of the Compound
| Compound ID |
CP0549386
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| Compound Name |
US9862730, Example 75
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| Structure |
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| Formula |
C17H16N4O2S
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| Molecular Weight |
340.408
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| Canonical SMILES |
CCc1nn2cc(nc2s1)-c1nc2ccc(OC3CCC3)cc2o1
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| InChI |
InChI=1S/C17H16N4O2S/c1-2-15-20-21-9-13(19-17(21)24-15)16-18-12-7-6-11(8-14(12)23-16)22-10-4-3-5-10/h6-10H,2-5H2,1H3
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| InChIKey |
XSPBIHLCIZNJAV-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