General Information of the Compound
| Compound ID |
CP0565207
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| Compound Name |
2-[7-[1-(2,2-difluoroethyl)azetidin-3-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C27H26F2N2O4S
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| Molecular Weight |
512.578
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| Canonical SMILES |
FC(F)CN1CC(C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C27H26F2N2O4S/c28-25(29)16-30-14-21(15-30)34-20-4-5-24-18(11-20)10-17-2-1-3-22(27(17)36-24)23-12-19(32)13-26(35-23)31-6-8-33-9-7-31/h1-5,11-13,21,25H,6-10,14-16H2
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| InChIKey |
KERVYJNCZZAJTP-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