General Information of the Compound
| Compound ID |
CP0558768
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| Compound Name |
2-[7-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C32H38N2O5S
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| Molecular Weight |
562.732
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| Canonical SMILES |
CC(C)(O)C1CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C32H38N2O5S/c1-32(2,36)24-8-10-33(11-9-24)12-17-38-26-6-7-29-23(19-26)18-22-4-3-5-27(31(22)40-29)28-20-25(35)21-30(39-28)34-13-15-37-16-14-34/h3-7,19-21,24,36H,8-18H2,1-2H3
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| InChIKey |
CVCGZRHVSJZEIE-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