General Information of the Compound
| Compound ID |
CP0383263
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| Compound Name |
2-[2-Hydroxy-2-(3-hydroxy-phenyl)-ethylamino]-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
OC(CNc1cc(=O)n2ccc3ccccc3c2n1)c1cccc(O)c1
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| InChI |
InChI=1S/C20H17N3O3/c24-15-6-3-5-14(10-15)17(25)12-21-18-11-19(26)23-9-8-13-4-1-2-7-16(13)20(23)22-18/h1-11,17,21,24-25H,12H2
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| InChIKey |
DEPUQEGPZIBZJG-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