General Information of the Compound
| Compound ID |
CP0940704
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| Compound Name |
5-Aziridin-1-yl-2,3-bis-hydroxymethyl-1-methyl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C13H14N2O4
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| Molecular Weight |
262.265
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| Canonical SMILES |
Cn1c(CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O
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| InChI |
InChI=1S/C13H14N2O4/c1-14-9(6-17)7(5-16)11-12(14)10(18)4-8(13(11)19)15-2-3-15/h4,16-17H,2-3,5-6H2,1H3
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| InChIKey |
LARXOTLQLKRKCF-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