General Information of the Compound
| Compound ID |
CP0548848
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| Compound Name |
US9518064, Example 60
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| Structure |
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| Formula |
C31H28N4O6S
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| Molecular Weight |
584.654
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3ccc(nc3)C(=O)OC(C)(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C31H28N4O6S/c1-31(2,3)41-28(36)23-10-9-20(15-32-23)19-8-6-7-18(11-19)17-39-25-12-21(37-4)13-26-22(25)14-27(40-26)24-16-35-29(33-24)42-30(34-35)38-5/h6-16H,17H2,1-5H3
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| InChIKey |
ZLWUPXBJIJIQJF-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