General Information of the Compound
| Compound ID |
CP0575089
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| Compound Name |
2-[7-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C29H30F2N2O4S
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| Molecular Weight |
540.632
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| Canonical SMILES |
FC1(F)CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C29H30F2N2O4S/c30-29(31)6-8-32(9-7-29)10-15-36-23-4-5-26-21(17-23)16-20-2-1-3-24(28(20)38-26)25-18-22(34)19-27(37-25)33-11-13-35-14-12-33/h1-5,17-19H,6-16H2
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| InChIKey |
ZPTWTJJPTQLASI-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