General Information of the Compound
| Compound ID |
CP0558766
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| Compound Name |
2-[7-[2-(3-fluoroazetidin-1-yl)ethoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C27H27FN2O4S
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| Molecular Weight |
494.588
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| Canonical SMILES |
FC1CN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C1
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| InChI |
InChI=1S/C27H27FN2O4S/c28-20-16-29(17-20)6-11-33-22-4-5-25-19(13-22)12-18-2-1-3-23(27(18)35-25)24-14-21(31)15-26(34-24)30-7-9-32-10-8-30/h1-5,13-15,20H,6-12,16-17H2
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| InChIKey |
AYUCOHICCDVVFH-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