General Information of the Compound
| Compound ID |
CP0464588
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| Compound Name |
4-(2,4-Dioxo-1-propyl-1,4-dihydro-2H-pteridin-3-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C15H20N4O4
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| Molecular Weight |
320.349
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| Canonical SMILES |
CCCn1c2nccnc2c(=O)n(CCCC(=O)OCC)c1=O
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| InChI |
InChI=1S/C15H20N4O4/c1-3-9-18-13-12(16-7-8-17-13)14(21)19(15(18)22)10-5-6-11(20)23-4-2/h7-8H,3-6,9-10H2,1-2H3
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| InChIKey |
YHZWAPPISCDOHT-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