General Information of the Compound
| Compound ID |
CP0306131
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| Compound Name |
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidine-6-carboxylic acid methyl ester
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| Structure |
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| Formula |
C23H25N3O5S
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| Molecular Weight |
455.536
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| Canonical SMILES |
COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
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| InChI |
InChI=1S/C23H25N3O5S/c1-30-18-5-3-4-14-15(18)7-6-13-11-25(12-16(13)14)8-9-26-21(27)20-17(24-23(26)29)10-19(32-20)22(28)31-2/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,24,29)/t13-,16+/m0/s1
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| InChIKey |
RXINGPJCQZSBIJ-XJKSGUPXSA-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