General Information of the Compound
| Compound ID |
CP0549388
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| Compound Name |
US9862730, Example 317
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| Structure |
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| Formula |
C34H27N3O5S
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| Molecular Weight |
589.673
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4-c4ccccc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C34H27N3O5S/c1-38-26-16-30(28-18-32(42-31(28)17-26)29-19-37-33(35-29)43-34(36-37)39-2)41-20-22-9-8-13-25(15-22)40-21-24-12-6-7-14-27(24)23-10-4-3-5-11-23/h3-19H,20-21H2,1-2H3
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| InChIKey |
KCQNXSMRRPWDNF-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