General Information of the Compound
| Compound ID |
CP0885936
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| Compound Name |
6-Aziridin-1-yl-3-hydroxymethyl-4,7-dioxo-4,7-dihydro-1H-indole-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C14H14N2O5
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| Molecular Weight |
290.275
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| Canonical SMILES |
CCOC(=O)c1[nH]c2c(c1CO)C(=O)C=C(N1CC1)C2=O
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| InChI |
InChI=1S/C14H14N2O5/c1-2-21-14(20)11-7(6-17)10-9(18)5-8(16-3-4-16)13(19)12(10)15-11/h5,15,17H,2-4,6H2,1H3
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| InChIKey |
JVEYJVUTRSBWSV-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