General Information of the Compound
| Compound ID |
CP0433082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3-chlorophenyl)methyl]-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
409.851
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClN3O5S/c18-12-3-1-2-11(8-12)10-19-16(22)6-7-20-27(24,25)13-4-5-14-15(9-13)26-17(23)21-14/h1-5,8-9,20H,6-7,10H2,(H,19,22)(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUKZUWRHOHLCCO-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
Protein ID: PT05210, Alkaline phosphatase, placental type
Protein ID: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT06212, Intestinal-type alkaline phosphatase