General Information of the Compound
| Compound ID |
CP0481002
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| Compound Name |
2-((R)-3-Hydroxy-pyrrolidin-1-yl)-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C16H15N3O2
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| Molecular Weight |
281.315
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| Canonical SMILES |
O[C@@H]1CCN(C1)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C16H15N3O2/c20-12-6-7-18(10-12)14-9-15(21)19-8-5-11-3-1-2-4-13(11)16(19)17-14/h1-5,8-9,12,20H,6-7,10H2/t12-/m1/s1
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| InChIKey |
VAFPVAFQLSKDTR-GFCCVEGCSA-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