General Information of the Compound
| Compound ID |
CP0453453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
but-2-ynyl N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
375.211
|
||||||||||||||||||
| Canonical SMILES |
CC#CCOC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(Cl)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12Cl2N2O3/c1-2-3-8-24-18(23)21-12-5-6-14(20)13(10-12)17-22-15-9-11(19)4-7-16(15)25-17/h4-7,9-10H,8H2,1H3,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQRSTJDERKXPFV-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