General Information of the Compound
| Compound ID |
CP0394954
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| Compound Name |
(3Z)-9,10-dimethoxy-3-[2-(3-methoxyphenyl)-2-oxoethylidene]-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C23H24N2O5
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| Molecular Weight |
408.454
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| Canonical SMILES |
COc1cccc(c1)C(=O)\C=C1/NCC2N(CCc3cc(OC)c(OC)cc23)C1=O
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| InChI |
InChI=1S/C23H24N2O5/c1-28-16-6-4-5-15(9-16)20(26)12-18-23(27)25-8-7-14-10-21(29-2)22(30-3)11-17(14)19(25)13-24-18/h4-6,9-12,19,24H,7-8,13H2,1-3H3/b18-12-
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| InChIKey |
VYGXHZOLCNUQHI-PDGQHHTCSA-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