General Information of the Compound
| Compound ID |
CP0577962
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| Compound Name |
2-morpholin-4-yl-6-[7-(oxan-4-ylmethoxy)-9H-thioxanthen-4-yl]pyran-4-one
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| Formula |
C28H29NO5S
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| Molecular Weight |
491.609
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| Canonical SMILES |
O=c1cc(oc(c1)-c1cccc2Cc3cc(OCC4CCOCC4)ccc3Sc12)N1CCOCC1
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| InChI |
InChI=1S/C28H29NO5S/c30-22-16-25(34-27(17-22)29-8-12-32-13-9-29)24-3-1-2-20-14-21-15-23(4-5-26(21)35-28(20)24)33-18-19-6-10-31-11-7-19/h1-5,15-17,19H,6-14,18H2
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| InChIKey |
PMYCWEPWKKPBMO-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