General Information of the Compound
| Compound ID |
CP0575838
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| Compound Name |
US9518064, Example 77
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| Structure |
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| Formula |
C25H20N6O5S
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| Molecular Weight |
516.539
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(n3)-c3cnc(OC)nc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H20N6O5S/c1-32-16-7-20(35-13-15-5-4-6-18(28-15)14-10-26-23(33-2)27-11-14)17-9-22(36-21(17)8-16)19-12-31-24(29-19)37-25(30-31)34-3/h4-12H,13H2,1-3H3
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| InChIKey |
ORJOGKAUCHZCET-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