General Information of the Compound
| Compound ID |
CP0481018
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| Compound Name |
2-[(2-Hydroxy-2-phenyl-ethyl)-methyl-amino]-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
CN(CC(O)c1ccccc1)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C21H19N3O2/c1-23(14-18(25)16-8-3-2-4-9-16)19-13-20(26)24-12-11-15-7-5-6-10-17(15)21(24)22-19/h2-13,18,25H,14H2,1H3
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| InChIKey |
QOVMSFOABIOZRT-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