General Information of the Compound
| Compound ID |
CP0486023
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| Compound Name |
2-[Benzyl-(2-hydroxy-ethyl)-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 |
OCCN(Cc1ccccc1)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C21H19N3O2/c25-13-12-23(15-16-6-2-1-3-7-16)19-14-20(26)24-11-10-17-8-4-5-9-18(17)21(24)22-19/h1-11,14,25H,12-13,15H2
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| InChIKey |
FDZGJUPHRICSJS-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