General Information of the Compound
| Compound ID |
CP0539312
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| Compound Name |
US10047103, 108
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| Structure |
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| Formula |
C25H20BrN5O4S2
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| Molecular Weight |
598.504
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(Nc4ccc(Br)cc4C)n3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H20BrN5O4S2/c1-13-6-14(26)4-5-18(13)28-23-27-15(12-36-23)11-34-20-7-16(32-2)8-21-17(20)9-22(35-21)19-10-31-24(29-19)37-25(30-31)33-3/h4-10,12H,11H2,1-3H3,(H,27,28)
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| InChIKey |
ZUMVAKLNFYFWGK-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