General Information of the Compound
| Compound ID |
CP0404964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloranyl-N-(3-methylphenyl)-N-(phenylmethyl)ethanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClNO
|
||||||||||||||||||
| Molecular Weight |
273.763
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(c1)N(Cc1ccccc1)C(=O)CCl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClNO/c1-13-6-5-9-15(10-13)18(16(19)11-17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKHCQUXRYRIDMR-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
38677-47-3
|
||||||||||||||||||
| 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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8
Protein ID: PT01214, Tyrosine-protein kinase JAK2