General Information of the Compound
| Compound ID |
CP0413958
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| Compound Name |
US9518064, Example 6
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| Structure |
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| Formula |
C25H19N3O5S
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| Molecular Weight |
473.51
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccoc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H19N3O5S/c1-29-18-9-21(32-13-15-4-3-5-16(8-15)17-6-7-31-14-17)19-11-23(33-22(19)10-18)20-12-28-24(26-20)34-25(27-28)30-2/h3-12,14H,13H2,1-2H3
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| InChIKey |
QWYGESWGTOIWDM-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