General Information of the Compound
| Compound ID |
CP0479254
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| Compound Name |
2-[7-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C30H34N2O5S
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| Molecular Weight |
534.678
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| Canonical SMILES |
C[C@H]1CN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1
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| InChI |
InChI=1S/C30H34N2O5S/c1-20-18-31(19-21(2)36-20)8-13-35-25-6-7-28-23(15-25)14-22-4-3-5-26(30(22)38-28)27-16-24(33)17-29(37-27)32-9-11-34-12-10-32/h3-7,15-17,20-21H,8-14,18-19H2,1-2H3/t20-,21+
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| InChIKey |
GFBOAAZOOBKREO-OYRHEFFESA-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