General Information of the Compound
| Compound ID |
CP0577416
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| Compound Name |
2-[(9S)-7-methoxy-9-(methoxymethyl)-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C25H25NO5S
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| Molecular Weight |
451.544
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| Canonical SMILES |
COC[C@H]1c2cc(OC)ccc2Sc2c1cccc2-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C25H25NO5S/c1-28-15-21-18-4-3-5-19(25(18)32-23-7-6-17(29-2)14-20(21)23)22-12-16(27)13-24(31-22)26-8-10-30-11-9-26/h3-7,12-14,21H,8-11,15H2,1-2H3/t21-/m1/s1
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| InChIKey |
QSONKSFUIKVPFI-OAQYLSRUSA-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