General Information of the Compound
| Compound ID |
CP0503279
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| Compound Name |
2-(4-Methyl-piperazin-1-yl)-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C17H18N4O
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| Molecular Weight |
294.358
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| Canonical SMILES |
CN1CCN(CC1)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C17H18N4O/c1-19-8-10-20(11-9-19)15-12-16(22)21-7-6-13-4-2-3-5-14(13)17(21)18-15/h2-7,12H,8-11H2,1H3
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| InChIKey |
RSXPGWJTZOEXDV-UHFFFAOYSA-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