General Information of the Compound
| Compound ID |
CP0558769
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| Compound Name |
2-(7-methoxy-9,9-dimethylthioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
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| Formula |
C25H25NO4S
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| Molecular Weight |
435.545
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| Canonical SMILES |
COc1ccc2Sc3c(cccc3C(C)(C)c2c1)-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C25H25NO4S/c1-25(2)19-6-4-5-18(24(19)31-22-8-7-17(28-3)15-20(22)25)21-13-16(27)14-23(30-21)26-9-11-29-12-10-26/h4-8,13-15H,9-12H2,1-3H3
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| InChIKey |
SKEPREYYTZLLMX-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