General Information of the Compound
| Compound ID |
CP0575804
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| Compound Name |
US9862730, Example 87
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| Structure |
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| Formula |
C16H16N4O2S
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| Molecular Weight |
328.397
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| Canonical SMILES |
CCc1nn2cc(nc2s1)-c1nc2ccc(OC(C)C)cc2o1
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| InChI |
InChI=1S/C16H16N4O2S/c1-4-14-19-20-8-12(18-16(20)23-14)15-17-11-6-5-10(21-9(2)3)7-13(11)22-15/h5-9H,4H2,1-3H3
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| InChIKey |
SGCWALGQSZFDSG-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