General Information of the Compound
| Compound ID |
CP0076727
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| Compound Name |
8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C13H12N4O2
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| Molecular Weight |
256.265
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| Canonical SMILES |
O=c1[nH]cnc2c(CNCc3ccco3)nccc12
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| InChI |
InChI=1S/C13H12N4O2/c18-13-10-3-4-15-11(12(10)16-8-17-13)7-14-6-9-2-1-5-19-9/h1-5,8,14H,6-7H2,(H,16,17,18)
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| InChIKey |
KYFZKWSQWIPREE-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