General Information of the Compound
| Compound ID |
CP0496309
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| Compound Name |
(11S,11aS)-2-acetyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-11,11a-dihydro-1H-pyrazino[1,2-b][2,6]naphthyridin-6-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)c2ccncc12)C(C)=O
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| InChI |
InChI=1S/C21H19N3O5/c1-12(25)23-5-6-24-16(10-23)19(15-9-22-4-3-14(15)21(24)26)13-7-17(27-2)20-18(8-13)28-11-29-20/h3-9,16,19H,10-11H2,1-2H3/t16-,19+/m1/s1
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| InChIKey |
PNHBXIUXNVZFEN-APWZRJJASA-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