General Information of the Compound
| Compound ID |
CP0486024
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| Compound Name |
2-[(Tetrahydro-furan-2-ylmethyl)-amino]-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C17H17N3O2
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| Molecular Weight |
295.342
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| Canonical SMILES |
O=c1cc(NCC2CCCO2)nc2c3ccccc3ccn12
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| InChI |
InChI=1S/C17H17N3O2/c21-16-10-15(18-11-13-5-3-9-22-13)19-17-14-6-2-1-4-12(14)7-8-20(16)17/h1-2,4,6-8,10,13,18H,3,5,9,11H2
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| InChIKey |
XFLQGCAWHKZYBO-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