General Information of the Compound
| Compound ID |
CP0879193
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| Compound Name |
3-Acetoxymethyl-5-aziridin-1-yl-4,7-dioxo-4,7-dihydro-1H-indole-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C16H16N2O6
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| Molecular Weight |
332.312
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| Canonical SMILES |
CCOC(=O)c1[nH]c2c(c1COC(C)=O)C(=O)C(N1CC1)=CC2=O
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| InChI |
InChI=1S/C16H16N2O6/c1-3-23-16(22)13-9(7-24-8(2)19)12-14(17-13)11(20)6-10(15(12)21)18-4-5-18/h6,17H,3-5,7H2,1-2H3
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| InChIKey |
XQCBQICITWYCLC-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