General Information of the Compound
| Compound ID |
CP0855333
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| Compound Name |
5-Aziridin-1-yl-2,3-bis-hydroxymethyl-6-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 |
CC1=C(N2CC2)C(=O)c2c([nH]c(CO)c2CO)C1=O
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| InChI |
InChI=1S/C13H14N2O4/c1-6-11(15-2-3-15)13(19)9-7(4-16)8(5-17)14-10(9)12(6)18/h14,16-17H,2-5H2,1H3
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| InChIKey |
LMQOBBKMWZVGCO-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