General Information of the Compound
| Compound ID |
CP0530739
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| Compound Name |
(3Z,6R,11aS)-3-[(3,4-dimethoxyphenyl)methylidene]-8,9-dimethoxy-6-phenyl-11,11a-dihydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
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| Structure |
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| Formula |
C29H28N2O6
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| Molecular Weight |
500.551
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| Canonical SMILES |
COc1ccc(\C=C2/NC(=O)[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](N3C2=O)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C29H28N2O6/c1-34-23-11-10-17(13-24(23)35-2)12-21-29(33)31-22(28(32)30-21)14-19-15-25(36-3)26(37-4)16-20(19)27(31)18-8-6-5-7-9-18/h5-13,15-16,22,27H,14H2,1-4H3,(H,30,32)/b21-12-/t22-,27+/m0/s1
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| InChIKey |
NOZNNAVKRHBFLF-LBHNWOQZSA-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