General Information of the Compound
| Compound ID |
CP0135733
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| Compound Name |
2-(7-methoxy-9H-thioxanthen-4-yl)-6-morpholin-4-ylpyran-4-one
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| Formula |
C23H21NO4S
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| Molecular Weight |
407.491
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| Canonical SMILES |
COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C23H21NO4S/c1-26-18-5-6-21-16(12-18)11-15-3-2-4-19(23(15)29-21)20-13-17(25)14-22(28-20)24-7-9-27-10-8-24/h2-6,12-14H,7-11H2,1H3
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| InChIKey |
CIZOSCVUGRBXEZ-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