General Information of the Compound
| Compound ID |
CP0515326
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| Compound Name |
US10047103, 137
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| Structure |
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| Formula |
C26H19F3N4O5S2
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| Molecular Weight |
588.589
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(c3ccccc3)C(F)(F)F)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H19F3N4O5S2/c1-35-16-8-19(17-10-21(38-20(17)9-16)18-11-33-23(31-18)40-24(32-33)36-2)37-12-15-13-39-22(30-15)25(34,26(27,28)29)14-6-4-3-5-7-14/h3-11,13,34H,12H2,1-2H3
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| InChIKey |
SWDKZGZHCMKCKA-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