General Information of the Compound
| Compound ID |
CP0914207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Aziridin-1-yl-2,3-bis-hydroxymethyl-1H-indole-4,7-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12N2O4
|
||||||||||||||||||
| Molecular Weight |
248.238
|
||||||||||||||||||
| Canonical SMILES |
O=C1C=C(N2CC2)C(=O)c2c1[nH]c(CO)c2CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N2O4/c15-4-6-7(5-16)13-11-9(17)3-8(14-1-2-14)12(18)10(6)11/h3,13,15-16H,1-2,4-5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFQIZZPGFQRJQJ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound