General Information of the Compound
| Compound ID |
CP0483120
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| Compound Name |
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
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| Structure |
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| Formula |
C16H16N4O5
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| Molecular Weight |
344.327
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| Canonical SMILES |
CC(OC(=O)c1nccnc1N)C(=O)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C16H16N4O5/c1-9(25-16(22)13-14(17)19-5-4-18-13)15(21)20-7-10-2-3-11-12(6-10)24-8-23-11/h2-6,9H,7-8H2,1H3,(H2,17,19)(H,20,21)
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| InChIKey |
ACZKLNIJFOPLKR-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