General Information of the Compound
| Compound ID |
CP0408290
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| Compound Name |
US9862730, Example 401
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| Structure |
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| Formula |
C29H24ClN3O6S
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| Molecular Weight |
578.046
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(Cl)cc(OC)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H24ClN3O6S/c1-34-21-9-18(7-19(30)10-21)16-37-20-6-4-5-17(8-20)15-38-25-11-22(35-2)12-26-23(25)13-27(39-26)24-14-33-28(31-24)40-29(32-33)36-3/h4-14H,15-16H2,1-3H3
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| InChIKey |
MURLSUQZSKSZTB-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