General Information of the Compound
| Compound ID |
CP0563753
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| Compound Name |
9-(2-methoxyethyl)-11-(2-phenylethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
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| Structure |
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| Formula |
C20H22N2O3S
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| Molecular Weight |
370.474
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| Canonical SMILES |
COCCn1c2sc3CCCc3c2c(=O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C20H22N2O3S/c1-25-13-12-22-19-17(15-8-5-9-16(15)26-19)18(23)21(20(22)24)11-10-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
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| InChIKey |
PNZZAWRNTIFJFO-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