General Information of the Compound
| Compound ID |
CP0544414
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| Compound Name |
US10047103, 17
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| Structure |
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| Formula |
C25H17F3N4O4S2
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| Molecular Weight |
558.563
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3cccc(c3)C(F)(F)F)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H17F3N4O4S2/c1-33-16-7-19(35-11-15-12-37-22(29-15)13-4-3-5-14(6-13)25(26,27)28)17-9-21(36-20(17)8-16)18-10-32-23(30-18)38-24(31-32)34-2/h3-10,12H,11H2,1-2H3
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| InChIKey |
BCADWXHPHVPWJY-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