General Information of the Compound
| Compound ID |
CP0193331
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| Compound Name |
3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C27H27N3O3S
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| Molecular Weight |
473.598
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| Canonical SMILES |
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
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| InChI |
InChI=1S/C27H27N3O3S/c1-33-23-9-5-8-19-20(23)11-10-18-15-29(16-21(18)19)12-13-30-26(31)25-22(28-27(30)32)14-24(34-25)17-6-3-2-4-7-17/h2-9,14,18,21H,10-13,15-16H2,1H3,(H,28,32)/t18-,21+/m0/s1
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| InChIKey |
HKSUNNWTUBMNAB-GHTZIAJQSA-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