General Information of the Compound
| Compound ID |
CP0468455
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| Compound Name |
US9862730, Example 390
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| Structure |
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| Formula |
C30H27N3O7S
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| Molecular Weight |
573.627
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(OC)cc(OC)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H27N3O7S/c1-34-21-9-19(10-22(11-21)35-2)17-38-20-7-5-6-18(8-20)16-39-26-12-23(36-3)13-27-24(26)14-28(40-27)25-15-33-29(31-25)41-30(32-33)37-4/h5-15H,16-17H2,1-4H3
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| InChIKey |
STHLADKNXLSNJU-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