General Information of the Compound
| Compound ID |
CP0483517
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| Compound Name |
2-[Bis-(2-hydroxy-ethyl)-amino]-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C16H17N3O3
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| Molecular Weight |
299.33
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| Canonical SMILES |
OCCN(CCO)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C16H17N3O3/c20-9-7-18(8-10-21)14-11-15(22)19-6-5-12-3-1-2-4-13(12)16(19)17-14/h1-6,11,20-21H,7-10H2
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| InChIKey |
QVXGUJWHNIGGIV-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