General Information of the Compound
| Compound ID |
CP0920309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-(1-(hydroxyimino)propyl)phenyl)-1-methyl-1H-pyrrole-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H15N3O
|
||||||||||||||||||
| Molecular Weight |
253.305
|
||||||||||||||||||
| Canonical SMILES |
CC/C(=N/O)c1ccc(-c2ccc(C#N)n2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15N3O/c1-3-14(17-19)11-4-6-12(7-5-11)15-9-8-13(10-16)18(15)2/h4-9,19H,3H2,1-2H3/b17-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXBRFCBBNQODDU-VKAVYKQESA-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