General Information of the Compound
| Compound ID |
CP0524493
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| Compound Name |
2,4-dimethylpyrimido[2,1-a]isoquinolin-5-ium-3-olate
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| Structure |
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| Formula |
C14H12N2O
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| Molecular Weight |
224.263
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| Canonical SMILES |
Cc1nc2c3ccccc3cc[n+]2c(C)c1[O-]
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| InChI |
InChI=1S/C14H12N2O/c1-9-13(17)10(2)16-8-7-11-5-3-4-6-12(11)14(16)15-9/h3-8H,1-2H3
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| InChIKey |
IIAHSBNBHXMKSO-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