General Information of the Compound
| Compound ID |
CP0852520
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| Compound Name |
5-Aziridin-1-yl-2,3-bis-hydroxymethyl-1,6-dimethyl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C14H16N2O4
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| Molecular Weight |
276.292
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| Canonical SMILES |
CC1=C(N2CC2)C(=O)c2c(CO)c(CO)n(C)c2C1=O
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| InChI |
InChI=1S/C14H16N2O4/c1-7-11(16-3-4-16)14(20)10-8(5-17)9(6-18)15(2)12(10)13(7)19/h17-18H,3-6H2,1-2H3
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| InChIKey |
XNEHPDCKNOSIPB-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