General Information of the Compound
| Compound ID |
CP0539392
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| Compound Name |
US10047103, 122
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| Structure |
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| Formula |
C25H25FN4O5S2
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| Molecular Weight |
544.63
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(F)CC(C)OC(C)C3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H25FN4O5S2/c1-13-8-25(26,9-14(2)34-13)22-27-15(12-36-22)11-33-19-5-16(31-3)6-20-17(19)7-21(35-20)18-10-30-23(28-18)37-24(29-30)32-4/h5-7,10,12-14H,8-9,11H2,1-4H3
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| InChIKey |
FQSQEOZFKDUYMF-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