General Information of the Compound
| Compound ID |
CP0914199
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acetic acid 2-acetoxymethyl-6-aziridin-1-yl-5-methyl-4,7-dioxo-4,7-dihydro-1H-indol-3-ylmethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2O6
|
||||||||||||||||||
| Molecular Weight |
346.339
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)OCc1[nH]c2c(c1COC(C)=O)C(=O)C(C)=C(N1CC1)C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2O6/c1-8-15(19-4-5-19)17(23)14-13(16(8)22)11(6-24-9(2)20)12(18-14)7-25-10(3)21/h18H,4-7H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSMPFJWHTKNYRS-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