General Information of the Compound
| Compound ID |
CP0542340
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| Compound Name |
1-(2-methoxyethyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C21H24N2O3S
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| Molecular Weight |
384.501
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| Canonical SMILES |
COCCn1c2sc3CCCCc3c2c(=O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C21H24N2O3S/c1-26-14-13-23-20-18(16-9-5-6-10-17(16)27-20)19(24)22(21(23)25)12-11-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
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| InChIKey |
YEKBFFOMQBXXFP-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