General Information of the Compound
| Compound ID |
CP0573591
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| Compound Name |
6-(7-methoxy-9H-thioxanthen-4-yl)-4-morpholin-4-yl-1H-pyrimidin-2-one
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(nc(O)n1)N1CCOCC1
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| InChI |
InChI=1S/C22H21N3O3S/c1-27-16-5-6-19-15(12-16)11-14-3-2-4-17(21(14)29-19)18-13-20(24-22(26)23-18)25-7-9-28-10-8-25/h2-6,12-13H,7-11H2,1H3,(H,23,24,26)
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| InChIKey |
RRTHSFBLSRZUQW-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