General Information of the Compound
| Compound ID |
CP0493867
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| Compound Name |
N-(4-aminobutyl)-3-[1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide
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| Structure |
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| Formula |
C16H25N7O5
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| Molecular Weight |
395.42
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| Canonical SMILES |
NCCCCNC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C16H25N7O5/c17-5-1-2-6-19-13(25)4-3-10-8-23(16(27)20-15(10)26)14-7-11(21-22-18)12(9-24)28-14/h8,11-12,14,24H,1-7,9,17H2,(H,19,25)(H,20,26,27)
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| InChIKey |
ILSUSIIBPRNDDX-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