General Information of the Compound
| Compound ID |
CP0535459
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| Compound Name |
(5S,5aS)-7-acetyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,6-dihydro-5H-pyrazino[2,1-g][1,7]naphthyridin-11-one
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| Structure |
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| Formula |
C21H19N3O5
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| Molecular Weight |
393.399
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN(C=CN2C(=O)c2ncccc12)C(C)=O
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| InChI |
InChI=1S/C21H19N3O5/c1-12(25)23-6-7-24-15(10-23)18(14-4-3-5-22-19(14)21(24)26)13-8-16(27-2)20-17(9-13)28-11-29-20/h3-9,15,18H,10-11H2,1-2H3/t15-,18+/m1/s1
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| InChIKey |
BZQGDXTWEQIORD-QAPCUYQASA-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