General Information of the Compound
| Compound ID |
CP0409833
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| Compound Name |
2-Pyrrolidin-1-yl-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C16H15N3O
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| Molecular Weight |
265.316
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| Canonical SMILES |
O=c1cc(nc2c3ccccc3ccn12)N1CCCC1
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| InChI |
InChI=1S/C16H15N3O/c20-15-11-14(18-8-3-4-9-18)17-16-13-6-2-1-5-12(13)7-10-19(15)16/h1-2,5-7,10-11H,3-4,8-9H2
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| InChIKey |
SODXUNBGFMGKOP-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