General Information of the Compound
| Compound ID |
CP0135713
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| Compound Name |
2-[7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C28H28F2N2O4S
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| Molecular Weight |
526.605
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| Canonical SMILES |
FC1(F)CCN(CCOc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C1
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| InChI |
InChI=1S/C28H28F2N2O4S/c29-28(30)6-7-31(18-28)8-13-35-22-4-5-25-20(15-22)14-19-2-1-3-23(27(19)37-25)24-16-21(33)17-26(36-24)32-9-11-34-12-10-32/h1-5,15-17H,6-14,18H2
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| InChIKey |
GIBZWELVYXSKFQ-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