General Information of the Compound
| Compound ID |
CP0522069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)3-(3,5-Dimethyl-1H-pyrrol-2-ylmethylene)-5-methoxy-1,3-dihydro-indol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16N2O2
|
||||||||||||||||||
| Molecular Weight |
268.316
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2NC(=O)\C(=C/c3[nH]c(C)cc3C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16N2O2/c1-9-6-10(2)17-15(9)8-13-12-7-11(20-3)4-5-14(12)18-16(13)19/h4-8,17H,1-3H3,(H,18,19)/b13-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WELBBKNYMNPRMZ-JYRVWZFOSA-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