General Information of the Compound
| Compound ID |
CP0564735
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| Compound Name |
2-[7-(1-ethylazetidin-3-yl)oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one
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| Formula |
C27H28N2O4S
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| Molecular Weight |
476.598
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| Canonical SMILES |
CCN1CC(C1)Oc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1
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| InChI |
InChI=1S/C27H28N2O4S/c1-2-28-16-22(17-28)32-21-6-7-25-19(13-21)12-18-4-3-5-23(27(18)34-25)24-14-20(30)15-26(33-24)29-8-10-31-11-9-29/h3-7,13-15,22H,2,8-12,16-17H2,1H3
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| InChIKey |
WDQARJGDHKAIHX-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