General Information of the Compound
| Compound ID |
CP0899956
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| Compound Name |
6-Aziridin-1-yl-2,3-bis-hydroxymethyl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C12H12N2O4
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| Molecular Weight |
248.238
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| Canonical SMILES |
O=C1C(N2CC2)=CC(=O)c2c1[nH]c(CO)c2CO
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| InChI |
InChI=1S/C12H12N2O4/c15-4-6-7(5-16)13-11-10(6)9(17)3-8(12(11)18)14-1-2-14/h3,13,15-16H,1-2,4-5H2
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| InChIKey |
AHUNWRGMXAHSPV-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