General Information of the Compound
| Compound ID |
CP0552098
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| Compound Name |
2-morpholin-4-yl-6-[7-(oxetan-3-yloxy)-9H-thioxanthen-4-yl]pyran-4-one
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| Formula |
C25H23NO5S
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| Molecular Weight |
449.528
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| Canonical SMILES |
O=c1cc(oc(c1)-c1cccc2Cc3cc(OC4COC4)ccc3Sc12)N1CCOCC1
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| InChI |
InChI=1S/C25H23NO5S/c27-18-12-22(31-24(13-18)26-6-8-28-9-7-26)21-3-1-2-16-10-17-11-19(30-20-14-29-15-20)4-5-23(17)32-25(16)21/h1-5,11-13,20H,6-10,14-15H2
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| InChIKey |
YWWWQQYKTOUASO-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