General Information of the Compound
| Compound ID |
CP0355633
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| Compound Name |
2-[7-[(2R)-1-methoxypropan-2-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C26H27NO5S
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| Molecular Weight |
465.571
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| Canonical SMILES |
COC[C@@H](C)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C26H27NO5S/c1-17(16-29-2)31-21-6-7-24-19(13-21)12-18-4-3-5-22(26(18)33-24)23-14-20(28)15-25(32-23)27-8-10-30-11-9-27/h3-7,13-15,17H,8-12,16H2,1-2H3/t17-/m1/s1
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| InChIKey |
SYVQAQHCFMTBNA-QGZVFWFLSA-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